1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide

C23H22ClFN6O3 — CID 71009632

IUPAC1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc2c(cn1)c(C(N)=O)nn2CC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C23H22ClFN6O3/c1-11-5-17-14(9-27-11)21(22(26)33)29-30(17)10-19(32)31-16-6-13(16)7-18(31)23(34)28-8-12-3-2-4-15(24)20(12)25/h2-5,9,13,16,18H,6-8,10H2,1H3,(H2,26,33)(H,28,34)/t13-,16-,18+/m1/s1
InChIKeyCTRWZQHOLATWEG-QBIMZIAESA-N
MW484.92 g/mol
LogP1.94
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 71009632) has the molecular formula C23H22ClFN6O3 and a molecular weight of 484.92 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID71009632
Molecular FormulaC23H22ClFN6O3
Molecular Weight484.92 g/mol
Exact Mass484.14
IUPAC Name1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc2c(cn1)c(C(N)=O)nn2CC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C23H22ClFN6O3/c1-11-5-17-14(9-27-11)21(22(26)33)29-30(17)10-19(32)31-16-6-13(16)7-18(31)23(34)28-8-12-3-2-4-15(24)20(12)25/h2-5,9,13,16,18H,6-8,10H2,1H3,(H2,26,33)(H,28,34)/t13-,16-,18+/m1/s1
InChIKeyCTRWZQHOLATWEG-QBIMZIAESA-N
XLogP1.94
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide (CID 71009632) is 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cc2c(cn1)c(C(N)=O)nn2CC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cccc(Cl)c1F.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is CTRWZQHOLATWEG-QBIMZIAESA-N. The full InChI is InChI=1S/C23H22ClFN6O3/c1-11-5-17-14(9-27-11)21(22(26)33)29-30(17)10-19(32)31-16-6-13(16)7-18(31)23(34)28-8-12-3-2-4-15(24)20(12)25/h2-5,9,13,16,18H,6-8,10H2,1H3,(H2,26,33)(H,28,34)/t13-,16-,18+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 484.92 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 71009632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).