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

C22H25FN6OS — CID 171742439

IUPACN-[(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
SMILESCc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CNC[C@H]4F)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H25FN6OS/c1-11(2)18-19(13-5-12(3)21-25-10-26-29(21)9-13)27-15-6-17(31-20(15)18)22(30)28(4)16-8-24-7-14(16)23/h5-6,9-11,14,16,24,27H,7-8H2,1-4H3/t14-,16-/m1/s1
InChIKeyDBQTXFAUBNKLLA-GDBMZVCRSA-N
MW440.55 g/mol
LogP3.75
Rot. Bonds4

About 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

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 (PubChem CID 171742439) has the molecular formula C22H25FN6OS and a molecular weight of 440.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID171742439
Molecular FormulaC22H25FN6OS
Molecular Weight440.55 g/mol
Exact Mass440.18
IUPAC NameN-[(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
SMILESCc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CNC[C@H]4F)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H25FN6OS/c1-11(2)18-19(13-5-12(3)21-25-10-26-29(21)9-13)27-15-6-17(31-20(15)18)22(30)28(4)16-8-24-7-14(16)23/h5-6,9-11,14,16,24,27H,7-8H2,1-4H3/t14-,16-/m1/s1
InChIKeyDBQTXFAUBNKLLA-GDBMZVCRSA-N
XLogP3.75
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876404
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-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-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-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
[(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
[(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
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
[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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CNC[C@H]4F)sc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 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?
The InChIKey is DBQTXFAUBNKLLA-GDBMZVCRSA-N. The full InChI is InChI=1S/C22H25FN6OS/c1-11(2)18-19(13-5-12(3)21-25-10-26-29(21)9-13)27-15-6-17(31-20(15)18)22(30)28(4)16-8-24-7-14(16)23/h5-6,9-11,14,16,24,27H,7-8H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 440.55 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171742439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).