1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

About 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72709081) has the molecular formula C19H20Cl2N6O3 and a molecular weight of 451.31 g/mol. Its IUPAC name is 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name	1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID	72709081
Molecular Formula	C19H20Cl2N6O3
Molecular Weight	451.31 g/mol
Exact Mass	450.10
IUPAC Name	1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILES	NC(=O)c1nn(CC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)NC[C@@H]2CC2(Cl)Cl)c2cnccc12
InChI	InChI=1S/C19H20Cl2N6O3/c20-19(21)4-10(19)5-24-18(30)16-12-3-9(12)7-26(16)14(28)8-27-13-6-23-2-1-11(13)15(25-27)17(22)29/h1-2,6,9-10,12,16H,3-5,7-8H2,(H2,22,29)(H,24,30)/t9-,10+,12-,16+/m1/s1
InChIKey	ODVLORQBSUCDNE-HDINQQKLSA-N
XLogP	0.69
TPSA	123.21 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.31
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72709081) is 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)NC[C@@H]2CC2(Cl)Cl)c2cnccc12.

What is the InChIKey of 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is ODVLORQBSUCDNE-HDINQQKLSA-N. The full InChI is InChI=1S/C19H20Cl2N6O3/c20-19(21)4-10(19)5-24-18(30)16-12-3-9(12)7-26(16)14(28)8-27-13-6-23-2-1-11(13)15(25-27)17(22)29/h1-2,6,9-10,12,16H,3-5,7-8H2,(H2,22,29)(H,24,30)/t9-,10+,12-,16+/m1/s1.

What are the key properties of 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 451.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72709081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).