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

C21H21ClFN5O3 — CID 169106020

IUPACN-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1ccc(F)c(-n2ncc3c2COC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl
InChIInChI=1S/C21H21ClFN5O3/c1-30-17-6-5-13(23)20(18(17)22)28-16-10-31-9-14(12(16)8-25-28)26-21(29)19-15-4-2-3-7-27(15)11-24-19/h5-6,8,11,14H,2-4,7,9-10H2,1H3,(H,26,29)/t14-/m1/s1
InChIKeyFJRLMPPZRSHFHU-CQSZACIVSA-N
MW445.88 g/mol
LogP3.21
Rot. Bonds4

About N-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 169106020) has the molecular formula C21H21ClFN5O3 and a molecular weight of 445.88 g/mol. Its IUPAC name is N-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID169106020
Molecular FormulaC21H21ClFN5O3
Molecular Weight445.88 g/mol
Exact Mass445.13
IUPAC NameN-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1ccc(F)c(-n2ncc3c2COC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl
InChIInChI=1S/C21H21ClFN5O3/c1-30-17-6-5-13(23)20(18(17)22)28-16-10-31-9-14(12(16)8-25-28)26-21(29)19-15-4-2-3-7-27(15)11-24-19/h5-6,8,11,14H,2-4,7,9-10H2,1H3,(H,26,29)/t14-/m1/s1
InChIKeyFJRLMPPZRSHFHU-CQSZACIVSA-N
XLogP3.21
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 169106020) is N-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is COc1ccc(F)c(-n2ncc3c2COC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl.
What is the InChIKey of N-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-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 FJRLMPPZRSHFHU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21ClFN5O3/c1-30-17-6-5-13(23)20(18(17)22)28-16-10-31-9-14(12(16)8-25-28)26-21(29)19-15-4-2-3-7-27(15)11-24-19/h5-6,8,11,14H,2-4,7,9-10H2,1H3,(H,26,29)/t14-/m1/s1.
What are the key properties of N-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-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 445.88 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-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 169106020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).