N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C22H23ClFN5O2 — CID 169106082

IUPACN-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1ccc(F)c(-n2ncc3c2CCC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl
InChIInChI=1S/C22H23ClFN5O2/c1-31-18-9-8-14(24)21(19(18)23)29-16-7-4-5-15(13(16)11-26-29)27-22(30)20-17-6-2-3-10-28(17)12-25-20/h8-9,11-12,15H,2-7,10H2,1H3,(H,27,30)/t15-/m1/s1
InChIKeyFYTXRQRKAFGLRE-OAHLLOKOSA-N
MW443.91 g/mol
LogP4.01
Rot. Bonds4

About N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 169106082) has the molecular formula C22H23ClFN5O2 and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID169106082
Molecular FormulaC22H23ClFN5O2
Molecular Weight443.91 g/mol
Exact Mass443.15
IUPAC NameN-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1ccc(F)c(-n2ncc3c2CCC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl
InChIInChI=1S/C22H23ClFN5O2/c1-31-18-9-8-14(24)21(19(18)23)29-16-7-4-5-15(13(16)11-26-29)27-22(30)20-17-6-2-3-10-28(17)12-25-20/h8-9,11-12,15H,2-7,10H2,1H3,(H,27,30)/t15-/m1/s1
InChIKeyFYTXRQRKAFGLRE-OAHLLOKOSA-N
XLogP4.01
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-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-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 169106082) is N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is COc1ccc(F)c(-n2ncc3c2CCC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl.
What is the InChIKey of N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is FYTXRQRKAFGLRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23ClFN5O2/c1-31-18-9-8-14(24)21(19(18)23)29-16-7-4-5-15(13(16)11-26-29)27-22(30)20-17-6-2-3-10-28(17)12-25-20/h8-9,11-12,15H,2-7,10H2,1H3,(H,27,30)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 443.91 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2-chloro-6-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 169106082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).