N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide

C20H19FN4O2 — CID 169106093

IUPACN-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2COCc3c2cnn3-c2ccccc2F)cc1C
InChIInChI=1S/C20H19FN4O2/c1-12-7-16(22-8-13(12)2)20(26)24-17-10-27-11-19-14(17)9-23-25(19)18-6-4-3-5-15(18)21/h3-9,17H,10-11H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyPQDQZXFEMQVSPZ-QGZVFWFLSA-N
MW366.40 g/mol
LogP3.02
Rot. Bonds3

About N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide

N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide (PubChem CID 169106093) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide
PubChem CID169106093
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2COCc3c2cnn3-c2ccccc2F)cc1C
InChIInChI=1S/C20H19FN4O2/c1-12-7-16(22-8-13(12)2)20(26)24-17-10-27-11-19-14(17)9-23-25(19)18-6-4-3-5-15(18)21/h3-9,17H,10-11H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyPQDQZXFEMQVSPZ-QGZVFWFLSA-N
XLogP3.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide (CID 169106093) is N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2COCc3c2cnn3-c2ccccc2F)cc1C.
What is the InChIKey of N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide?
The InChIKey is PQDQZXFEMQVSPZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12-7-16(22-8-13(12)2)20(26)24-17-10-27-11-19-14(17)9-23-25(19)18-6-4-3-5-15(18)21/h3-9,17H,10-11H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide?
N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(2-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-4,5-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 169106093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).