N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C78H90F2N18O4 — CID 159525307

IUPACN-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccnc2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(-c2cncnc2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(-c2ncccn2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(N2CCC(F)(F)CC2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12
InChIInChI=1S/C20H26F2N4O.C20H22N4O.2C19H21N5O/c1-13-12-16(25-10-7-20(21,22)8-11-25)23-17-15(6-9-26(13)17)18(27)24-19(2,3)14-4-5-14;1-13-11-17(14-5-4-9-21-12-14)22-18-16(8-10-24(13)18)19(25)23-20(2,3)15-6-7-15;1-12-11-15(16-20-8-4-9-21-16)22-17-14(7-10-24(12)17)18(25)23-19(2,3)13-5-6-13;1-12-8-16(13-9-20-11-21-10-13)22-17-15(6-7-24(12)17)18(25)23-19(2,3)14-4-5-14/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3,(H,24,27);4-5,8-12,15H,6-7H2,1-3H3,(H,23,25);4,7-11,13H,5-6H2,1-3H3,(H,23,25);6-11,14H,4-5H2,1-3H3,(H,23,25)
InChIKeyMCHRKKYLDOAPTN-UHFFFAOYSA-N
MW1381.70 g/mol
LogP13.46
Rot. Bonds16

About N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 159525307) has the molecular formula C78H90F2N18O4 and a molecular weight of 1381.70 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID159525307
Molecular FormulaC78H90F2N18O4
Molecular Weight1381.70 g/mol
Exact Mass1380.74
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccnc2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(-c2cncnc2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(-c2ncccn2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(N2CCC(F)(F)CC2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12
InChIInChI=1S/C20H26F2N4O.C20H22N4O.2C19H21N5O/c1-13-12-16(25-10-7-20(21,22)8-11-25)23-17-15(6-9-26(13)17)18(27)24-19(2,3)14-4-5-14;1-13-11-17(14-5-4-9-21-12-14)22-18-16(8-10-24(13)18)19(25)23-20(2,3)15-6-7-15;1-12-11-15(16-20-8-4-9-21-16)22-17-14(7-10-24(12)17)18(25)23-19(2,3)13-5-6-13;1-12-8-16(13-9-20-11-21-10-13)22-17-15(6-7-24(12)17)18(25)23-19(2,3)14-4-5-14/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3,(H,24,27);4-5,8-12,15H,6-7H2,1-3H3,(H,23,25);4,7-11,13H,5-6H2,1-3H3,(H,23,25);6-11,14H,4-5H2,1-3H3,(H,23,25)
InChIKeyMCHRKKYLDOAPTN-UHFFFAOYSA-N
XLogP13.46
TPSA253.29 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.70
LogP ≤ 513.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[[5-Fluoro-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
CID 166625848
(4-Ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 166626093
[6-[[4-(1-Butan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 166626245
[6-[[4-(1-Butan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
CID 166626363
[6-[[4-(1-Ethylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166627359
[6-[[5-Fluoro-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 166627385
(4-Ethylpiperazin-1-yl)-[6-[[4-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 166628367
[6-[[5-Fluoro-4-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166629460
[6-[[5-Fluoro-4-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
CID 166630396
[6-[[5-Fluoro-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166631072
(4-Propan-2-ylpiperazin-1-yl)-[6-[[4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 166632966
(4-Ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 166634271

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 159525307) is N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(-c2cccnc2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(-c2cncnc2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(-c2ncccn2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.Cc1cc(N2CCC(F)(F)CC2)nc2c(C(=O)NC(C)(C)C3CC3)ccn12.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is MCHRKKYLDOAPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O.C20H22N4O.2C19H21N5O/c1-13-12-16(25-10-7-20(21,22)8-11-25)23-17-15(6-9-26(13)17)18(27)24-19(2,3)14-4-5-14;1-13-11-17(14-5-4-9-21-12-14)22-18-16(8-10-24(13)18)19(25)23-20(2,3)15-6-7-15;1-12-11-15(16-20-8-4-9-21-16)22-17-14(7-10-24(12)17)18(25)23-19(2,3)13-5-6-13;1-12-8-16(13-9-20-11-21-10-13)22-17-15(6-7-24(12)17)18(25)23-19(2,3)14-4-5-14/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3,(H,24,27);4-5,8-12,15H,6-7H2,1-3H3,(H,23,25);4,7-11,13H,5-6H2,1-3H3,(H,23,25);6-11,14H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 1381.70 g/mol, XLogP of 13.46, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 159525307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).