N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide

C102H117N25O8 — CID 160806015

IUPACN-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESC=CCn1cc(C(=O)N(C)C2CCN(c3cc(-n4cccn4)ncn3)CC2)c2c(c1=O)CC=C2.C=CCn1cc(C(=O)N(C)C2CCN(c3cc(C)nc(C4CC4)n3)CC2)c2c(c1=O)CC=C2.C=CCn1cc(C(=O)N(C)C2CCN(c3cc(C4CC4)nc(C)n3)CC2)c2cc(C)[nH]c2c1=O.C=CCn1cc(C(=O)N(C)C2CCN(c3cncc(-n4cccn4)n3)CC2)c2c(c1=O)CC=C2
InChIInChI=1S/C26H32N6O2.C26H31N5O2.2C25H27N7O2/c1-5-10-32-15-21(20-13-16(2)27-24(20)26(32)34)25(33)30(4)19-8-11-31(12-9-19)23-14-22(18-6-7-18)28-17(3)29-23;1-4-12-31-16-22(20-6-5-7-21(20)26(31)33)25(32)29(3)19-10-13-30(14-11-19)23-15-17(2)27-24(28-23)18-8-9-18;1-3-11-31-17-21(19-6-4-7-20(19)25(31)34)24(33)29(2)18-8-13-30(14-9-18)22-15-26-16-23(28-22)32-12-5-10-27-32;1-3-11-31-16-21(19-6-4-7-20(19)25(31)34)24(33)29(2)18-8-13-30(14-9-18)22-15-23(27-17-26-22)32-12-5-10-28-32/h5,13-15,18-19,27H,1,6-12H2,2-4H3;4-6,15-16,18-19H,1,7-14H2,2-3H3;2*3-6,10,12,15-18H,1,7-9,11,13-14H2,2H3
InChIKeySDRXEYZKJQRNNY-UHFFFAOYSA-N
MW1821.22 g/mol
LogP11.50
Rot. Bonds24

About N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide

N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 160806015) has the molecular formula C102H117N25O8 and a molecular weight of 1821.22 g/mol. Its IUPAC name is N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID160806015
Molecular FormulaC102H117N25O8
Molecular Weight1821.22 g/mol
Exact Mass1819.95
IUPAC NameN-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESC=CCn1cc(C(=O)N(C)C2CCN(c3cc(-n4cccn4)ncn3)CC2)c2c(c1=O)CC=C2.C=CCn1cc(C(=O)N(C)C2CCN(c3cc(C)nc(C4CC4)n3)CC2)c2c(c1=O)CC=C2.C=CCn1cc(C(=O)N(C)C2CCN(c3cc(C4CC4)nc(C)n3)CC2)c2cc(C)[nH]c2c1=O.C=CCn1cc(C(=O)N(C)C2CCN(c3cncc(-n4cccn4)n3)CC2)c2c(c1=O)CC=C2
InChIInChI=1S/C26H32N6O2.C26H31N5O2.2C25H27N7O2/c1-5-10-32-15-21(20-13-16(2)27-24(20)26(32)34)25(33)30(4)19-8-11-31(12-9-19)23-14-22(18-6-7-18)28-17(3)29-23;1-4-12-31-16-22(20-6-5-7-21(20)26(31)33)25(32)29(3)19-10-13-30(14-11-19)23-15-17(2)27-24(28-23)18-8-9-18;1-3-11-31-17-21(19-6-4-7-20(19)25(31)34)24(33)29(2)18-8-13-30(14-9-18)22-15-26-16-23(28-22)32-12-5-10-27-32;1-3-11-31-16-21(19-6-4-7-20(19)25(31)34)24(33)29(2)18-8-13-30(14-9-18)22-15-23(27-17-26-22)32-12-5-10-28-32/h5,13-15,18-19,27H,1,6-12H2,2-4H3;4-6,15-16,18-19H,1,7-14H2,2-3H3;2*3-6,10,12,15-18H,1,7-9,11,13-14H2,2H3
InChIKeySDRXEYZKJQRNNY-UHFFFAOYSA-N
XLogP11.50
TPSA336.75 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.22
LogP ≤ 511.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide (CID 160806015) is N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide is C=CCn1cc(C(=O)N(C)C2CCN(c3cc(-n4cccn4)ncn3)CC2)c2c(c1=O)CC=C2.C=CCn1cc(C(=O)N(C)C2CCN(c3cc(C)nc(C4CC4)n3)CC2)c2c(c1=O)CC=C2.C=CCn1cc(C(=O)N(C)C2CCN(c3cc(C4CC4)nc(C)n3)CC2)c2cc(C)[nH]c2c1=O.C=CCn1cc(C(=O)N(C)C2CCN(c3cncc(-n4cccn4)n3)CC2)c2c(c1=O)CC=C2.
What is the InChIKey of N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is SDRXEYZKJQRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C26H31N5O2.2C25H27N7O2/c1-5-10-32-15-21(20-13-16(2)27-24(20)26(32)34)25(33)30(4)19-8-11-31(12-9-19)23-14-22(18-6-7-18)28-17(3)29-23;1-4-12-31-16-22(20-6-5-7-21(20)26(31)33)25(32)29(3)19-10-13-30(14-11-19)23-15-17(2)27-24(28-23)18-8-9-18;1-3-11-31-17-21(19-6-4-7-20(19)25(31)34)24(33)29(2)18-8-13-30(14-9-18)22-15-26-16-23(28-22)32-12-5-10-27-32;1-3-11-31-16-21(19-6-4-7-20(19)25(31)34)24(33)29(2)18-8-13-30(14-9-18)22-15-23(27-17-26-22)32-12-5-10-28-32/h5,13-15,18-19,27H,1,6-12H2,2-4H3;4-6,15-16,18-19H,1,7-14H2,2-3H3;2*3-6,10,12,15-18H,1,7-9,11,13-14H2,2H3.
What are the key properties of N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 1821.22 g/mol, XLogP of 11.50, 24 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1-oxo-2-prop-2-enyl-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-1-oxo-2-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 160806015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).