N-[(4S)-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-1-carboxamide

C20H19ClFN5O2 — CID 169106089

IUPACN-[(4S)-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-1-carboxamide
SMILESO=C(N[C@@H]1COCc2c1cnn2-c1c(F)cccc1Cl)c1ncn2c1CCCC2
InChIInChI=1S/C20H19ClFN5O2/c21-13-4-3-5-14(22)19(13)27-17-10-29-9-15(12(17)8-24-27)25-20(28)18-16-6-1-2-7-26(16)11-23-18/h3-5,8,11,15H,1-2,6-7,9-10H2,(H,25,28)/t15-/m1/s1
InChIKeyPSPVSBREKKTAML-OAHLLOKOSA-N
MW415.86 g/mol
LogP3.20
Rot. Bonds3

About N-[(4S)-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-1-carboxamide

N-[(4S)-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-1-carboxamide (PubChem CID 169106089) has the molecular formula C20H19ClFN5O2 and a molecular weight of 415.86 g/mol. Its IUPAC name is N-[(4S)-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-1-carboxamide.

Molecular Properties

Compound NameN-[(4S)-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-1-carboxamide
PubChem CID169106089
Molecular FormulaC20H19ClFN5O2
Molecular Weight415.86 g/mol
Exact Mass415.12
IUPAC NameN-[(4S)-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-1-carboxamide
SMILESO=C(N[C@@H]1COCc2c1cnn2-c1c(F)cccc1Cl)c1ncn2c1CCCC2
InChIInChI=1S/C20H19ClFN5O2/c21-13-4-3-5-14(22)19(13)27-17-10-29-9-15(12(17)8-24-27)25-20(28)18-16-6-1-2-7-26(16)11-23-18/h3-5,8,11,15H,1-2,6-7,9-10H2,(H,25,28)/t15-/m1/s1
InChIKeyPSPVSBREKKTAML-OAHLLOKOSA-N
XLogP3.20
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S)-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-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-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-1-carboxamide?
The IUPAC name of N-[(4S)-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-1-carboxamide (CID 169106089) is N-[(4S)-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-1-carboxamide.
What is the SMILES notation for N-[(4S)-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-1-carboxamide?
The canonical SMILES for N-[(4S)-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-1-carboxamide is O=C(N[C@@H]1COCc2c1cnn2-c1c(F)cccc1Cl)c1ncn2c1CCCC2.
What is the InChIKey of N-[(4S)-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-1-carboxamide?
The InChIKey is PSPVSBREKKTAML-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19ClFN5O2/c21-13-4-3-5-14(22)19(13)27-17-10-29-9-15(12(17)8-24-27)25-20(28)18-16-6-1-2-7-26(16)11-23-18/h3-5,8,11,15H,1-2,6-7,9-10H2,(H,25,28)/t15-/m1/s1.
What are the key properties of N-[(4S)-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-1-carboxamide?
N-[(4S)-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-1-carboxamide has a molecular weight of 415.86 g/mol, XLogP of 3.20, 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-6-fluorophenyl)-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 169106089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).