N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide

C25H30N6OS — CID 167511210

IUPACN-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide
SMILESCC(C)c1c(-c2cn3ncnc3c3c2CCC3)[nH]c2sc(C(=O)N(C)C3CCNCC3)cc12
InChIInChI=1S/C25H30N6OS/c1-14(2)21-18-11-20(25(32)30(3)15-7-9-26-10-8-15)33-24(18)29-22(21)19-12-31-23(27-13-28-31)17-6-4-5-16(17)19/h11-15,26,29H,4-10H2,1-3H3
InChIKeyBUHYYMUBTONZNJ-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.38
Rot. Bonds4

About N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide

N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide (PubChem CID 167511210) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide
PubChem CID167511210
Molecular FormulaC25H30N6OS
Molecular Weight462.62 g/mol
Exact Mass462.22
IUPAC NameN-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide
SMILESCC(C)c1c(-c2cn3ncnc3c3c2CCC3)[nH]c2sc(C(=O)N(C)C3CCNCC3)cc12
InChIInChI=1S/C25H30N6OS/c1-14(2)21-18-11-20(25(32)30(3)15-7-9-26-10-8-15)33-24(18)29-22(21)19-12-31-23(27-13-28-31)17-6-4-5-16(17)19/h11-15,26,29H,4-10H2,1-3H3
InChIKeyBUHYYMUBTONZNJ-UHFFFAOYSA-N
XLogP4.38
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-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
3-methyl-1-[4-[3-methyl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrol-2-yl]cyclohexyl]azetidin-3-ol
CID 167511315
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
2-(6-azaspiro[3.4]octan-2-yl)-3-methyl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole
CID 167511229
[4-[3-methyl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 167511289
2-[5-[3-methyl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetamide
CID 167511243
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
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)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876406
7,8-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155226265
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide (CID 167511210) is N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide is CC(C)c1c(-c2cn3ncnc3c3c2CCC3)[nH]c2sc(C(=O)N(C)C3CCNCC3)cc12.
What is the InChIKey of N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The InChIKey is BUHYYMUBTONZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6OS/c1-14(2)21-18-11-20(25(32)30(3)15-7-9-26-10-8-15)33-24(18)29-22(21)19-12-31-23(27-13-28-31)17-6-4-5-16(17)19/h11-15,26,29H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 167511210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).