N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen

C74H94ClF3N20O4 — CID 161437854

IUPACN-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen
SMILESCCCCN(CCC)C(=O)c1cc(-c2ncnc3[nH]cc(C)c23)c[nH]1.C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.Cn1cc(-c2ncnc3[nH]ccc23)cc1C(=O)N(CCC(F)(F)F)CC1CCC1.O=C(NCc1ccccc1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H22F3N5O.C19H25N5O.C18H15N5O.C17H18ClN5O.7H2/c1-27-11-14(17-15-5-7-24-18(15)26-12-25-17)9-16(27)19(29)28(8-6-20(21,22)23)10-13-3-2-4-13;1-4-6-8-24(7-5-2)19(25)15-9-14(11-20-15)17-16-13(3)10-21-18(16)23-12-22-17;24-18(21-9-12-4-2-1-3-5-12)15-8-13(10-20-15)16-14-6-7-19-17(14)23-11-22-16;1-9-3-4-10(2)23(9)17(24)13-5-11(6-19-13)15-14-12(18)7-20-16(14)22-8-21-15;;;;;;;/h5,7,9,11-13H,2-4,6,8,10H2,1H3,(H,24,25,26);9-12,20H,4-8H2,1-3H3,(H,21,22,23);1-8,10-11,20H,9H2,(H,21,24)(H,19,22,23);5-10,19H,3-4H2,1-2H3,(H,20,21,22);7*1H/t;;;9-,10-;;;;;;;/m...1......./s1
InChIKeyVYWRRSXGZZGAOH-CEYMIXQWSA-N
MW1420.15 g/mol
LogP16.30
Rot. Bonds19

About N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen

N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen (PubChem CID 161437854) has the molecular formula C74H94ClF3N20O4 and a molecular weight of 1420.15 g/mol. Its IUPAC name is N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen
PubChem CID161437854
Molecular FormulaC74H94ClF3N20O4
Molecular Weight1420.15 g/mol
Exact Mass1418.74
IUPAC NameN-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen
SMILESCCCCN(CCC)C(=O)c1cc(-c2ncnc3[nH]cc(C)c23)c[nH]1.C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.Cn1cc(-c2ncnc3[nH]ccc23)cc1C(=O)N(CCC(F)(F)F)CC1CCC1.O=C(NCc1ccccc1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H22F3N5O.C19H25N5O.C18H15N5O.C17H18ClN5O.7H2/c1-27-11-14(17-15-5-7-24-18(15)26-12-25-17)9-16(27)19(29)28(8-6-20(21,22)23)10-13-3-2-4-13;1-4-6-8-24(7-5-2)19(25)15-9-14(11-20-15)17-16-13(3)10-21-18(16)23-12-22-17;24-18(21-9-12-4-2-1-3-5-12)15-8-13(10-20-15)16-14-6-7-19-17(14)23-11-22-16;1-9-3-4-10(2)23(9)17(24)13-5-11(6-19-13)15-14-12(18)7-20-16(14)22-8-21-15;;;;;;;/h5,7,9,11-13H,2-4,6,8,10H2,1H3,(H,24,25,26);9-12,20H,4-8H2,1-3H3,(H,21,22,23);1-8,10-11,20H,9H2,(H,21,24)(H,19,22,23);5-10,19H,3-4H2,1-2H3,(H,20,21,22);7*1H/t;;;9-,10-;;;;;;;/m...1......./s1
InChIKeyVYWRRSXGZZGAOH-CEYMIXQWSA-N
XLogP16.30
TPSA308.61 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001420.15
LogP ≤ 516.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

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CID 16130479
US20250368640, Example 13
CID 174301188
US20250368640, Example 14
CID 174301189
4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 57647236
4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 57647269
4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 57647289
4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 57647352
[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 58897047
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 59422324
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 59422329
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 59422355
4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propyl-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-2-carboxamide
CID 68252477

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen?
The IUPAC name of N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen (CID 161437854) is N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen is CCCCN(CCC)C(=O)c1cc(-c2ncnc3[nH]cc(C)c23)c[nH]1.C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.Cn1cc(-c2ncnc3[nH]ccc23)cc1C(=O)N(CCC(F)(F)F)CC1CCC1.O=C(NCc1ccccc1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen?
The InChIKey is VYWRRSXGZZGAOH-CEYMIXQWSA-N. The full InChI is InChI=1S/C20H22F3N5O.C19H25N5O.C18H15N5O.C17H18ClN5O.7H2/c1-27-11-14(17-15-5-7-24-18(15)26-12-25-17)9-16(27)19(29)28(8-6-20(21,22)23)10-13-3-2-4-13;1-4-6-8-24(7-5-2)19(25)15-9-14(11-20-15)17-16-13(3)10-21-18(16)23-12-22-17;24-18(21-9-12-4-2-1-3-5-12)15-8-13(10-20-15)16-14-6-7-19-17(14)23-11-22-16;1-9-3-4-10(2)23(9)17(24)13-5-11(6-19-13)15-14-12(18)7-20-16(14)22-8-21-15;;;;;;;/h5,7,9,11-13H,2-4,6,8,10H2,1H3,(H,24,25,26);9-12,20H,4-8H2,1-3H3,(H,21,22,23);1-8,10-11,20H,9H2,(H,21,24)(H,19,22,23);5-10,19H,3-4H2,1-2H3,(H,20,21,22);7*1H/t;;;9-,10-;;;;;;;/m...1......./s1.
What are the key properties of N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen?
N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen has a molecular weight of 1420.15 g/mol, XLogP of 16.30, 19 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-butyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-propyl-1H-pyrrole-2-carboxamide;[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol-2-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone;N-(cyclobutylmethyl)-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 161437854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).