3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one

C21H21N5O2 — CID 162705935

IUPAC3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one
SMILESCN(c1cc2c(=O)c3ccc(-c4cn[nH]c4)cc3oc2cn1)C1CCNCC1
InChIInChI=1S/C21H21N5O2/c1-26(15-4-6-22-7-5-15)20-9-17-19(12-23-20)28-18-8-13(14-10-24-25-11-14)2-3-16(18)21(17)27/h2-3,8-12,15,22H,4-7H2,1H3,(H,24,25)
InChIKeyCGJACODHBYNESX-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.92
Rot. Bonds3

About 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one

3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one (PubChem CID 162705935) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one
PubChem CID162705935
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one
SMILESCN(c1cc2c(=O)c3ccc(-c4cn[nH]c4)cc3oc2cn1)C1CCNCC1
InChIInChI=1S/C21H21N5O2/c1-26(15-4-6-22-7-5-15)20-9-17-19(12-23-20)28-18-8-13(14-10-24-25-11-14)2-3-16(18)21(17)27/h2-3,8-12,15,22H,4-7H2,1H3,(H,24,25)
InChIKeyCGJACODHBYNESX-UHFFFAOYSA-N
XLogP2.92
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 170373585
2-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154987934
6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine
CID 162705901
2-[6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598788
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine
CID 167502948
N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
CID 162705900
N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
CID 107174074
5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one
CID 162705890
2-[5-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167368418
6-(1H-pyrazol-4-yl)-1,3-benzoxazole
CID 67417079
N-methyl-N-piperidin-4-ylpyridin-2-amine;hydrochloride
CID 71641470
2-[6-[cyclopropyl-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.1]octanyl]amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154988105

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one?
The IUPAC name of 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one (CID 162705935) is 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one.
What is the SMILES notation for 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one?
The canonical SMILES for 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one is CN(c1cc2c(=O)c3ccc(-c4cn[nH]c4)cc3oc2cn1)C1CCNCC1.
What is the InChIKey of 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one?
The InChIKey is CGJACODHBYNESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26(15-4-6-22-7-5-15)20-9-17-19(12-23-20)28-18-8-13(14-10-24-25-11-14)2-3-16(18)21(17)27/h2-3,8-12,15,22H,4-7H2,1H3,(H,24,25).
What are the key properties of 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one?
3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one has a molecular weight of 375.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-4-yl)amino]-8-(1H-pyrazol-4-yl)chromeno[2,3-c]pyridin-5-one is sourced from PubChem (CID 162705935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).