N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

C26H25N7O3 — CID 19512844

IUPACN-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C26H25N7O3/c1-15-23(16(2)33(4)30-15)21-12-19(18-9-5-6-10-20(18)28-21)25(34)29-22-14-32(3)31-24(22)26(35)27-13-17-8-7-11-36-17/h5-12,14H,13H2,1-4H3,(H,27,35)(H,29,34)
InChIKeyQQYVNJPZYMBQMQ-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.76
Rot. Bonds6

About N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512844) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512844
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C26H25N7O3/c1-15-23(16(2)33(4)30-15)21-12-19(18-9-5-6-10-20(18)28-21)25(34)29-22-14-32(3)31-24(22)26(35)27-13-17-8-7-11-36-17/h5-12,14H,13H2,1-4H3,(H,27,35)(H,29,34)
InChIKeyQQYVNJPZYMBQMQ-UHFFFAOYSA-N
XLogP3.76
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512854
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-(2-hydroxy-5-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512913
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512896
N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512629
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512844) is N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c2ccccc2n1.
What is the InChIKey of N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is QQYVNJPZYMBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-15-23(16(2)33(4)30-15)21-12-19(18-9-5-6-10-20(18)28-21)25(34)29-22-14-32(3)31-24(22)26(35)27-13-17-8-7-11-36-17/h5-12,14H,13H2,1-4H3,(H,27,35)(H,29,34).
What are the key properties of N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).