N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide

C23H28N6OS — CID 164876404

IUPACN-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
SMILESCc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CCCNC4)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H28N6OS/c1-13(2)19-20(15-8-14(3)22-25-12-26-29(22)11-15)27-17-9-18(31-21(17)19)23(30)28(4)16-6-5-7-24-10-16/h8-9,11-13,16,24,27H,5-7,10H2,1-4H3/t16-/m1/s1
InChIKeyQQTWOXHEOASYJM-MRXNPFEDSA-N
MW436.59 g/mol
LogP4.19
Rot. Bonds4

About N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide

N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 164876404) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
PubChem CID164876404
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC NameN-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
SMILESCc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CCCNC4)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H28N6OS/c1-13(2)19-20(15-8-14(3)22-25-12-26-29(22)11-15)27-17-9-18(31-21(17)19)23(30)28(4)16-6-5-7-24-10-16/h8-9,11-13,16,24,27H,5-7,10H2,1-4H3/t16-/m1/s1
InChIKeyQQTWOXHEOASYJM-MRXNPFEDSA-N
XLogP4.19
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-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

N-[(3R,4R)-3-fluoropiperidin-4-yl]-N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876176
N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(4-oxocyclohexyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876539
N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876406
N-cyclopropyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876046
N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 171742439
N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[1-(oxetan-3-yl)piperidin-4-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876491
(4-hydroxypiperidin-1-yl)-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876603
5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876114
[(2S,3S)-3-amino-2-methylpiperidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876415
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876637
2-(3,3-dimethylpiperidin-4-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876215
[2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]cyclopropyl]-piperazin-1-ylmethanone
CID 171742458

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide (CID 164876404) is N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide is Cc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CCCNC4)sc3c2C(C)C)cn2ncnc12.
What is the InChIKey of N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is QQTWOXHEOASYJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-13(2)19-20(15-8-14(3)22-25-12-26-29(22)11-15)27-17-9-18(31-21(17)19)23(30)28(4)16-6-5-7-24-10-16/h8-9,11-13,16,24,27H,5-7,10H2,1-4H3/t16-/m1/s1.
What are the key properties of N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide?
N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 436.59 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 164876404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).