N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide

C105H126N22O14S — CID 157266860

IUPACN-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccccn2)nc2c(C(=O)NC(=O)C3CC4(CCC4)C3)ncn12.Cc1cc(-c2ccco2)nc2c(C(=O)NC(=O)C(C)(C)C3CC3)ncn12.Cc1cc(-c2cccs2)nc2c(C(=O)NC(=O)C3CCC(OC(C)C)CC3)ncn12.Cc1cc(C2CCNCC2)nc2c(C(=O)NC(=O)C3CCC(OC(C)C)CC3)ncn12.Cc1cc(C2CCOCC2)nc2c(C(=O)NC(=O)C(C)(C)C3CC3)ncn12
InChIInChI=1S/C23H33N5O3.C22H26N4O3S.C21H21N5O2.C20H26N4O3.C19H20N4O3/c1-14(2)31-18-6-4-17(5-7-18)22(29)27-23(30)20-21-26-19(16-8-10-24-11-9-16)12-15(3)28(21)13-25-20;1-13(2)29-16-8-6-15(7-9-16)21(27)25-22(28)19-20-24-17(18-5-4-10-30-18)11-14(3)26(20)12-23-19;1-13-9-16(15-5-2-3-8-22-15)24-18-17(23-12-26(13)18)20(28)25-19(27)14-10-21(11-14)6-4-7-21;1-12-10-15(13-6-8-27-9-7-13)22-17-16(21-11-24(12)17)18(25)23-19(26)20(2,3)14-4-5-14;1-11-9-13(14-5-4-8-26-14)21-16-15(20-10-23(11)16)17(24)22-18(25)19(2,3)12-6-7-12/h12-14,16-18,24H,4-11H2,1-3H3,(H,27,29,30);4-5,10-13,15-16H,6-9H2,1-3H3,(H,25,27,28);2-3,5,8-9,12,14H,4,6-7,10-11H2,1H3,(H,25,27,28);10-11,13-14H,4-9H2,1-3H3,(H,23,25,26);4-5,8-10,12H,6-7H2,1-3H3,(H,22,24,25)
InChIKeyAYCBNUZBEMTUIZ-UHFFFAOYSA-N
MW1952.37 g/mol
LogP15.30
Rot. Bonds21

About N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide

N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 157266860) has the molecular formula C105H126N22O14S and a molecular weight of 1952.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID157266860
Molecular FormulaC105H126N22O14S
Molecular Weight1952.37 g/mol
Exact Mass1950.95
IUPAC NameN-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccccn2)nc2c(C(=O)NC(=O)C3CC4(CCC4)C3)ncn12.Cc1cc(-c2ccco2)nc2c(C(=O)NC(=O)C(C)(C)C3CC3)ncn12.Cc1cc(-c2cccs2)nc2c(C(=O)NC(=O)C3CCC(OC(C)C)CC3)ncn12.Cc1cc(C2CCNCC2)nc2c(C(=O)NC(=O)C3CCC(OC(C)C)CC3)ncn12.Cc1cc(C2CCOCC2)nc2c(C(=O)NC(=O)C(C)(C)C3CC3)ncn12
InChIInChI=1S/C23H33N5O3.C22H26N4O3S.C21H21N5O2.C20H26N4O3.C19H20N4O3/c1-14(2)31-18-6-4-17(5-7-18)22(29)27-23(30)20-21-26-19(16-8-10-24-11-9-16)12-15(3)28(21)13-25-20;1-13(2)29-16-8-6-15(7-9-16)21(27)25-22(28)19-20-24-17(18-5-4-10-30-18)11-14(3)26(20)12-23-19;1-13-9-16(15-5-2-3-8-22-15)24-18-17(23-12-26(13)18)20(28)25-19(27)14-10-21(11-14)6-4-7-21;1-12-10-15(13-6-8-27-9-7-13)22-17-16(21-11-24(12)17)18(25)23-19(26)20(2,3)14-4-5-14;1-11-9-13(14-5-4-8-26-14)21-16-15(20-10-23(11)16)17(24)22-18(25)19(2,3)12-6-7-12/h12-14,16-18,24H,4-11H2,1-3H3,(H,27,29,30);4-5,10-13,15-16H,6-9H2,1-3H3,(H,25,27,28);2-3,5,8-9,12,14H,4,6-7,10-11H2,1H3,(H,25,27,28);10-11,13-14H,4-9H2,1-3H3,(H,23,25,26);4-5,8-10,12H,6-7H2,1-3H3,(H,22,24,25)
InChIKeyAYCBNUZBEMTUIZ-UHFFFAOYSA-N
XLogP15.30
TPSA447.55 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.37
LogP ≤ 515.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 157266860) is N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2ccccn2)nc2c(C(=O)NC(=O)C3CC4(CCC4)C3)ncn12.Cc1cc(-c2ccco2)nc2c(C(=O)NC(=O)C(C)(C)C3CC3)ncn12.Cc1cc(-c2cccs2)nc2c(C(=O)NC(=O)C3CCC(OC(C)C)CC3)ncn12.Cc1cc(C2CCNCC2)nc2c(C(=O)NC(=O)C3CCC(OC(C)C)CC3)ncn12.Cc1cc(C2CCOCC2)nc2c(C(=O)NC(=O)C(C)(C)C3CC3)ncn12.
What is the InChIKey of N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is AYCBNUZBEMTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3.C22H26N4O3S.C21H21N5O2.C20H26N4O3.C19H20N4O3/c1-14(2)31-18-6-4-17(5-7-18)22(29)27-23(30)20-21-26-19(16-8-10-24-11-9-16)12-15(3)28(21)13-25-20;1-13(2)29-16-8-6-15(7-9-16)21(27)25-22(28)19-20-24-17(18-5-4-10-30-18)11-14(3)26(20)12-23-19;1-13-9-16(15-5-2-3-8-22-15)24-18-17(23-12-26(13)18)20(28)25-19(27)14-10-21(11-14)6-4-7-21;1-12-10-15(13-6-8-27-9-7-13)22-17-16(21-11-24(12)17)18(25)23-19(26)20(2,3)14-4-5-14;1-11-9-13(14-5-4-8-26-14)21-16-15(20-10-23(11)16)17(24)22-18(25)19(2,3)12-6-7-12/h12-14,16-18,24H,4-11H2,1-3H3,(H,27,29,30);4-5,10-13,15-16H,6-9H2,1-3H3,(H,25,27,28);2-3,5,8-9,12,14H,4,6-7,10-11H2,1H3,(H,25,27,28);10-11,13-14H,4-9H2,1-3H3,(H,23,25,26);4-5,8-10,12H,6-7H2,1-3H3,(H,22,24,25).
What are the key properties of N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 1952.37 g/mol, XLogP of 15.30, 21 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 157266860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).