1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide

C26H24N6O2 — CID 42423997

IUPAC1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)N(C)Cc2cccc3ncccc23)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C26H24N6O2/c1-17(2)24-20(15-29-32(24)26-28-13-11-22(30-26)23-10-6-14-34-23)25(33)31(3)16-18-7-4-9-21-19(18)8-5-12-27-21/h4-15,17H,16H2,1-3H3
InChIKeyKCIGOEIGJFMPRR-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.87
Rot. Bonds6

About 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide

1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42423997) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID42423997
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)N(C)Cc2cccc3ncccc23)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C26H24N6O2/c1-17(2)24-20(15-29-32(24)26-28-13-11-22(30-26)23-10-6-14-34-23)25(33)31(3)16-18-7-4-9-21-19(18)8-5-12-27-21/h4-15,17H,16H2,1-3H3
InChIKeyKCIGOEIGJFMPRR-UHFFFAOYSA-N
XLogP4.87
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide (CID 42423997) is 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide is CC(C)c1c(C(=O)N(C)Cc2cccc3ncccc23)cnn1-c1nccc(-c2ccco2)n1.
What is the InChIKey of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is KCIGOEIGJFMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-17(2)24-20(15-29-32(24)26-28-13-11-22(30-26)23-10-6-14-34-23)25(33)31(3)16-18-7-4-9-21-19(18)8-5-12-27-21/h4-15,17H,16H2,1-3H3.
What are the key properties of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-5-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42423997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).