N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide

C18H22N6OS — CID 42099790

IUPACN-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cccs1
InChIInChI=1S/C18H22N6OS/c25-18(15-6-5-11-26-15)19-7-10-24-17-14(12-22-24)16(20-13-21-17)23-8-3-1-2-4-9-23/h5-6,11-13H,1-4,7-10H2,(H,19,25)
InChIKeyVMWQJFCZADVILQ-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide

N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 42099790) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID42099790
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cccs1
InChIInChI=1S/C18H22N6OS/c25-18(15-6-5-11-26-15)19-7-10-24-17-14(12-22-24)16(20-13-21-17)23-8-3-1-2-4-9-23/h5-6,11-13H,1-4,7-10H2,(H,19,25)
InChIKeyVMWQJFCZADVILQ-UHFFFAOYSA-N
XLogP2.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-((1R,6R)-6-Amino-2,2-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 25141108
N-[(1R,2S)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603842
Mark-IN-4
CID 68776463
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 25205097
4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 59603829
N-[(1R,2S)-2-aminocyclohexyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603906
4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 59603929
N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 68777548

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide (CID 42099790) is N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide is O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cccs1.
What is the InChIKey of N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is VMWQJFCZADVILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c25-18(15-6-5-11-26-15)19-7-10-24-17-14(12-22-24)16(20-13-21-17)23-8-3-1-2-4-9-23/h5-6,11-13H,1-4,7-10H2,(H,19,25).
What are the key properties of N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42099790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).