2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide

C22H23N5O2 — CID 166392952

IUPAC2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide
SMILESCNc1ccccc1C(=O)N[C@]12C[C@H]1CN(C(=O)c1c(C)nn3ccccc13)C2
InChIInChI=1S/C22H23N5O2/c1-14-19(18-9-5-6-10-27(18)25-14)21(29)26-12-15-11-22(15,13-26)24-20(28)16-7-3-4-8-17(16)23-2/h3-10,15,23H,11-13H2,1-2H3,(H,24,28)/t15-,22-/m0/s1
InChIKeyCDQQSDDSWCEBAM-NYHFZMIOSA-N
MW389.46 g/mol
LogP2.33
Rot. Bonds4

About 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide

2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide (PubChem CID 166392952) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide
PubChem CID166392952
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide
SMILESCNc1ccccc1C(=O)N[C@]12C[C@H]1CN(C(=O)c1c(C)nn3ccccc13)C2
InChIInChI=1S/C22H23N5O2/c1-14-19(18-9-5-6-10-27(18)25-14)21(29)26-12-15-11-22(15,13-26)24-20(28)16-7-3-4-8-17(16)23-2/h3-10,15,23H,11-13H2,1-2H3,(H,24,28)/t15-,22-/m0/s1
InChIKeyCDQQSDDSWCEBAM-NYHFZMIOSA-N
XLogP2.33
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide?
The IUPAC name of 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide (CID 166392952) is 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide.
What is the SMILES notation for 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide?
The canonical SMILES for 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide is CNc1ccccc1C(=O)N[C@]12C[C@H]1CN(C(=O)c1c(C)nn3ccccc13)C2.
What is the InChIKey of 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide?
The InChIKey is CDQQSDDSWCEBAM-NYHFZMIOSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-19(18-9-5-6-10-27(18)25-14)21(29)26-12-15-11-22(15,13-26)24-20(28)16-7-3-4-8-17(16)23-2/h3-10,15,23H,11-13H2,1-2H3,(H,24,28)/t15-,22-/m0/s1.
What are the key properties of 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide?
2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1R,5S)-3-(2-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]benzamide is sourced from PubChem (CID 166392952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).