1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide

C26H27ClN6O3 — CID 90019431

IUPAC1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)c2cn1
InChIInChI=1S/C26H27ClN6O3/c1-2-14-9-17-22(11-29-14)32(31-24(17)25(28)35)12-23(34)33-20-7-13(20)8-21(33)26(36)30-19-10-16(19)15-5-3-4-6-18(15)27/h3-6,9,11,13,16,19-21H,2,7-8,10,12H2,1H3,(H2,28,35)(H,30,36)/t13-,16+,19-,20-,21+/m1/s1
InChIKeyUEDKJXUARJQEGU-LSVMVFPXSA-N
MW506.99 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 90019431) has the molecular formula C26H27ClN6O3 and a molecular weight of 506.99 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID90019431
Molecular FormulaC26H27ClN6O3
Molecular Weight506.99 g/mol
Exact Mass506.18
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)c2cn1
InChIInChI=1S/C26H27ClN6O3/c1-2-14-9-17-22(11-29-14)32(31-24(17)25(28)35)12-23(34)33-20-7-13(20)8-21(33)26(36)30-19-10-16(19)15-5-3-4-6-18(15)27/h3-6,9,11,13,16,19-21H,2,7-8,10,12H2,1H3,(H2,28,35)(H,30,36)/t13-,16+,19-,20-,21+/m1/s1
InChIKeyUEDKJXUARJQEGU-LSVMVFPXSA-N
XLogP2.41
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.99
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-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-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide (CID 90019431) is 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide is CCc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)c2cn1.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is UEDKJXUARJQEGU-LSVMVFPXSA-N. The full InChI is InChI=1S/C26H27ClN6O3/c1-2-14-9-17-22(11-29-14)32(31-24(17)25(28)35)12-23(34)33-20-7-13(20)8-21(33)26(36)30-19-10-16(19)15-5-3-4-6-18(15)27/h3-6,9,11,13,16,19-21H,2,7-8,10,12H2,1H3,(H2,28,35)(H,30,36)/t13-,16+,19-,20-,21+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 506.99 g/mol, XLogP of 2.41, 7 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-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 90019431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).