N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide

C25H26ClN5O2 — CID 29085464

IUPACN-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCCC2)n(C)n1
InChIInChI=1S/C25H26ClN5O2/c1-17-12-23(29(2)28-17)25(32)31(16-21-6-5-11-33-21)15-19-13-18-7-8-20(26)14-22(18)27-24(19)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3
InChIKeyAVSFUGIWCNHJJE-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.97
Rot. Bonds6

About N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide

N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 29085464) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID29085464
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC NameN-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCCC2)n(C)n1
InChIInChI=1S/C25H26ClN5O2/c1-17-12-23(29(2)28-17)25(32)31(16-21-6-5-11-33-21)15-19-13-18-7-8-20(26)14-22(18)27-24(19)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3
InChIKeyAVSFUGIWCNHJJE-UHFFFAOYSA-N
XLogP4.97
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(furan-2-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-3-yl]methyl]-4-(trifluoromethyl)benzamide
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CID 1460043
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899
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2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
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2-[bis(furan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36802685
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
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5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide (CID 29085464) is N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCCC2)n(C)n1.
What is the InChIKey of N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is AVSFUGIWCNHJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-17-12-23(29(2)28-17)25(32)31(16-21-6-5-11-33-21)15-19-13-18-7-8-20(26)14-22(18)27-24(19)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3.
What are the key properties of N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 29085464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).