formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide

C23H29N5O3 — CID 67188346

IUPACformic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(CC(=O)Nc1cc(-c2ccc3ncccc3c2)[nH]n1)CN1CCCCC1.O=CO
InChIInChI=1S/C22H27N5O.CH2O2/c1-16(15-27-10-3-2-4-11-27)12-22(28)24-21-14-20(25-26-21)18-7-8-19-17(13-18)6-5-9-23-19;2-1-3/h5-9,13-14,16H,2-4,10-12,15H2,1H3,(H2,24,25,26,28);1H,(H,2,3)
InChIKeyDOVCMOZZDABNHS-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.78
Rot. Bonds6

About formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide

formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide (PubChem CID 67188346) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Nameformic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide
PubChem CID67188346
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Nameformic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(CC(=O)Nc1cc(-c2ccc3ncccc3c2)[nH]n1)CN1CCCCC1.O=CO
InChIInChI=1S/C22H27N5O.CH2O2/c1-16(15-27-10-3-2-4-11-27)12-22(28)24-21-14-20(25-26-21)18-7-8-19-17(13-18)6-5-9-23-19;2-1-3/h5-9,13-14,16H,2-4,10-12,15H2,1H3,(H2,24,25,26,28);1H,(H,2,3)
InChIKeyDOVCMOZZDABNHS-UHFFFAOYSA-N
XLogP3.78
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide with MolForge

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Related Compounds

N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
N-(6-(pyridin-3-yl)-1H-indazol-3-yl)butyramide
CID 10016510
N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide
CID 146488225
N-[6-(quinolin-6-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539596
Pyk2-IN-2
CID 71450692
2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 164619829
methyl N-[4-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-1-methylpyrazol-3-yl]carbamate
CID 140836896
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 137646601
4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide
CID 171347545
N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171358233
3-Tert-butyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136076958
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520

Frequently Asked Questions

What is the IUPAC name of formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide (CID 67188346) is formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide is CC(CC(=O)Nc1cc(-c2ccc3ncccc3c2)[nH]n1)CN1CCCCC1.O=CO.
What is the InChIKey of formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide?
The InChIKey is DOVCMOZZDABNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O.CH2O2/c1-16(15-27-10-3-2-4-11-27)12-22(28)24-21-14-20(25-26-21)18-7-8-19-17(13-18)6-5-9-23-19;2-1-3/h5-9,13-14,16H,2-4,10-12,15H2,1H3,(H2,24,25,26,28);1H,(H,2,3).
What are the key properties of formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide?
formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide has a molecular weight of 423.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methyl-4-piperidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 67188346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).