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

C26H32N6O2S — CID 164876491

IUPACN-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
SMILESCc1cc(-c2[nH]c3cc(C(=O)N(C)C4CCN(C5COC5)CC4)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H32N6O2S/c1-15(2)22-23(17-9-16(3)25-27-14-28-32(25)11-17)29-20-10-21(35-24(20)22)26(33)30(4)18-5-7-31(8-6-18)19-12-34-13-19/h9-11,14-15,18-19,29H,5-8,12-13H2,1-4H3
InChIKeyXTTRUBXGNVZHAH-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.31
Rot. Bonds5

About 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

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 (PubChem CID 164876491) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID164876491
Molecular FormulaC26H32N6O2S
Molecular Weight492.65 g/mol
Exact Mass492.23
IUPAC NameN-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
SMILESCc1cc(-c2[nH]c3cc(C(=O)N(C)C4CCN(C5COC5)CC4)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H32N6O2S/c1-15(2)22-23(17-9-16(3)25-27-14-28-32(25)11-17)29-20-10-21(35-24(20)22)26(33)30(4)18-5-7-31(8-6-18)19-12-34-13-19/h9-11,14-15,18-19,29H,5-8,12-13H2,1-4H3
InChIKeyXTTRUBXGNVZHAH-UHFFFAOYSA-N
XLogP4.31
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876404
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)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876406
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
(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-(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-[1-(oxetan-3-yl)piperidin-4-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-[1-(oxetan-3-yl)piperidin-4-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide (CID 164876491) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2[nH]c3cc(C(=O)N(C)C4CCN(C5COC5)CC4)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-[1-(oxetan-3-yl)piperidin-4-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is XTTRUBXGNVZHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2S/c1-15(2)22-23(17-9-16(3)25-27-14-28-32(25)11-17)29-20-10-21(35-24(20)22)26(33)30(4)18-5-7-31(8-6-18)19-12-34-13-19/h9-11,14-15,18-19,29H,5-8,12-13H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 492.65 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-[1-(oxetan-3-yl)piperidin-4-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 164876491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).