N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C25H26N4O3S — CID 649983

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)cc12
InChIInChI=1S/C25H26N4O3S/c1-17-21-14-22(33-25(21)29(27-17)19-10-3-2-4-11-19)24(31)28(15-20-12-7-13-32-20)16-23(30)26-18-8-5-6-9-18/h2-4,7,10-14,18H,5-6,8-9,15-16H2,1H3,(H,26,30)
InChIKeyAQCZWYSTQIBSNI-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.69
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 649983) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID649983
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)cc12
InChIInChI=1S/C25H26N4O3S/c1-17-21-14-22(33-25(21)29(27-17)19-10-3-2-4-11-19)24(31)28(15-20-12-7-13-32-20)16-23(30)26-18-8-5-6-9-18/h2-4,7,10-14,18H,5-6,8-9,15-16H2,1H3,(H,26,30)
InChIKeyAQCZWYSTQIBSNI-UHFFFAOYSA-N
XLogP4.69
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 649983) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)cc12.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AQCZWYSTQIBSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-17-21-14-22(33-25(21)29(27-17)19-10-3-2-4-11-19)24(31)28(15-20-12-7-13-32-20)16-23(30)26-18-8-5-6-9-18/h2-4,7,10-14,18H,5-6,8-9,15-16H2,1H3,(H,26,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 649983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).