N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide

C39H47F3N10O2 — CID 143928715

IUPACN-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide
SMILESCc1nc(C(F)(F)F)ccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1.O=C(CCCN1CCCC1)Nc1cc(-c2ccc3ncccc3c2)[nH]n1
InChIInChI=1S/C20H23N5O.C19H24F3N5O/c26-20(6-4-12-25-10-1-2-11-25)22-19-14-18(23-24-19)16-7-8-17-15(13-16)5-3-9-21-17;1-13-14(7-8-16(23-13)19(20,21)22)15-12-17(26-25-15)24-18(28)6-5-11-27-9-3-2-4-10-27/h3,5,7-9,13-14H,1-2,4,6,10-12H2,(H2,22,23,24,26);7-8,12H,2-6,9-11H2,1H3,(H2,24,25,26,28)
InChIKeyATCNDZSKNLHUMC-UHFFFAOYSA-N
MW744.87 g/mol
LogP7.44
Rot. Bonds12

About N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide

N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide (PubChem CID 143928715) has the molecular formula C39H47F3N10O2 and a molecular weight of 744.87 g/mol. Its IUPAC name is N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide
PubChem CID143928715
Molecular FormulaC39H47F3N10O2
Molecular Weight744.87 g/mol
Exact Mass744.38
IUPAC NameN-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide
SMILESCc1nc(C(F)(F)F)ccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1.O=C(CCCN1CCCC1)Nc1cc(-c2ccc3ncccc3c2)[nH]n1
InChIInChI=1S/C20H23N5O.C19H24F3N5O/c26-20(6-4-12-25-10-1-2-11-25)22-19-14-18(23-24-19)16-7-8-17-15(13-16)5-3-9-21-17;1-13-14(7-8-16(23-13)19(20,21)22)15-12-17(26-25-15)24-18(28)6-5-11-27-9-3-2-4-10-27/h3,5,7-9,13-14H,1-2,4,6,10-12H2,(H2,22,23,24,26);7-8,12H,2-6,9-11H2,1H3,(H2,24,25,26,28)
InChIKeyATCNDZSKNLHUMC-UHFFFAOYSA-N
XLogP7.44
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.87
LogP ≤ 57.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide with MolForge

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Related Compounds

Pyk2-IN-2
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US11649255, Example 532
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US11649255, Example 462
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US11649255, Example 465
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US11649255, Example 452
CID 164718368
4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide
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US12358931, Example 2-2
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N-[5-[3-(4-fluorophenyl)cyclobutyl]-1H-pyrazol-3-yl]-2-quinolin-6-ylacetamide
CID 11188778
N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N-quinolin-2-ylacetamide
CID 18674112
N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621017
N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621018

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide (CID 143928715) is N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide is Cc1nc(C(F)(F)F)ccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1.O=C(CCCN1CCCC1)Nc1cc(-c2ccc3ncccc3c2)[nH]n1.
What is the InChIKey of N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide?
The InChIKey is ATCNDZSKNLHUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.C19H24F3N5O/c26-20(6-4-12-25-10-1-2-11-25)22-19-14-18(23-24-19)16-7-8-17-15(13-16)5-3-9-21-17;1-13-14(7-8-16(23-13)19(20,21)22)15-12-17(26-25-15)24-18(28)6-5-11-27-9-3-2-4-10-27/h3,5,7-9,13-14H,1-2,4,6,10-12H2,(H2,22,23,24,26);7-8,12H,2-6,9-11H2,1H3,(H2,24,25,26,28).
What are the key properties of N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide?
N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide has a molecular weight of 744.87 g/mol, XLogP of 7.44, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 143928715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).