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

C21H22FN5O2 — CID 169106117

IUPACN-[(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
SMILESCc1cccc(F)c1-n1ncc2c1COC[C@H]2NC(=O)c1ncn2c1CCCC2
InChIInChI=1S/C21H22FN5O2/c1-13-5-4-6-15(22)20(13)27-18-11-29-10-16(14(18)9-24-27)25-21(28)19-17-7-2-3-8-26(17)12-23-19/h4-6,9,12,16H,2-3,7-8,10-11H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyZXFXIIGCCQBFBR-MRXNPFEDSA-N
MW395.44 g/mol
LogP2.85
Rot. Bonds3

About 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

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 (PubChem CID 169106117) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID169106117
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-[(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
SMILESCc1cccc(F)c1-n1ncc2c1COC[C@H]2NC(=O)c1ncn2c1CCCC2
InChIInChI=1S/C21H22FN5O2/c1-13-5-4-6-15(22)20(13)27-18-11-29-10-16(14(18)9-24-27)25-21(28)19-17-7-2-3-8-26(17)12-23-19/h4-6,9,12,16H,2-3,7-8,10-11H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyZXFXIIGCCQBFBR-MRXNPFEDSA-N
XLogP2.85
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-chloro-6-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide
CID 169106016
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-[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-[(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-[(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
cis-(1S,3R)-3-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 122108654
5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide
CID 176715033
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyridine-2-carboxamide
CID 129104732
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664
N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide
CID 176715011

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(F)c1-n1ncc2c1COC[C@H]2NC(=O)c1ncn2c1CCCC2.
What is the InChIKey of 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?
The InChIKey is ZXFXIIGCCQBFBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-5-4-6-15(22)20(13)27-18-11-29-10-16(14(18)9-24-27)25-21(28)19-17-7-2-3-8-26(17)12-23-19/h4-6,9,12,16H,2-3,7-8,10-11H2,1H3,(H,25,28)/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 395.44 g/mol, XLogP of 2.85, 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-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 is sourced from PubChem (CID 169106117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).