N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

C21H22ClN5O2 — CID 169106076

IUPACN-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1cccc(-n2ncc3c2COC[C@H]3NC(=O)c2ncc3n2CCCC3)c1Cl
InChIInChI=1S/C21H22ClN5O2/c1-13-5-4-7-17(19(13)22)27-18-12-29-11-16(15(18)10-24-27)25-21(28)20-23-9-14-6-2-3-8-26(14)20/h4-5,7,9-10,16H,2-3,6,8,11-12H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyWSFRIMUQJXYXNX-MRXNPFEDSA-N
MW411.89 g/mol
LogP3.37
Rot. Bonds3

About N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 169106076) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID169106076
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC NameN-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1cccc(-n2ncc3c2COC[C@H]3NC(=O)c2ncc3n2CCCC3)c1Cl
InChIInChI=1S/C21H22ClN5O2/c1-13-5-4-7-17(19(13)22)27-18-12-29-11-16(15(18)10-24-27)25-21(28)20-23-9-14-6-2-3-8-26(14)20/h4-5,7,9-10,16H,2-3,6,8,11-12H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyWSFRIMUQJXYXNX-MRXNPFEDSA-N
XLogP3.37
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4R)-1-(2-chloro-6-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 172557847
N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 169106047
N-[(4S)-1-[2-chloro-3-(morpholine-4-carbonyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 169105996
N-[(4R)-1-(2-methoxyphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 172557852
N-[(4R)-1-(2-chloro-5-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 172557833
N-[(4S)-1-(2-fluoro-6-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 169106117
N-[(4S)-1-(2-chloro-6-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide
CID 169106016
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide
CID 24791124
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24817171
3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide
CID 129104723
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide
CID 72863166

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (CID 169106076) is N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is Cc1cccc(-n2ncc3c2COC[C@H]3NC(=O)c2ncc3n2CCCC3)c1Cl.
What is the InChIKey of N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WSFRIMUQJXYXNX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-13-5-4-7-17(19(13)22)27-18-12-29-11-16(15(18)10-24-27)25-21(28)20-23-9-14-6-2-3-8-26(14)20/h4-5,7,9-10,16H,2-3,6,8,11-12H2,1H3,(H,25,28)/t16-/m1/s1.
What are the key properties of N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(2-chloro-3-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 169106076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).