7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

C24H26N6O2 — CID 164537576

IUPAC7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3ccccc3)cc1)C(N1C[C@H]3C[C@@H]1CN3)CCN2
InChIInChI=1S/C24H26N6O2/c25-24(31)23-22-21(20(10-11-26-22)29-14-15-12-17(29)13-27-15)28-30(23)16-6-8-19(9-7-16)32-18-4-2-1-3-5-18/h1-9,15,17,20,26-27H,10-14H2,(H2,25,31)/t15-,17-,20?/m1/s1
InChIKeyFBJULHCAEAWLQY-LSOHHRALSA-N
MW430.51 g/mol
LogP2.67
Rot. Bonds5

About 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164537576) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID164537576
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3ccccc3)cc1)C(N1C[C@H]3C[C@@H]1CN3)CCN2
InChIInChI=1S/C24H26N6O2/c25-24(31)23-22-21(20(10-11-26-22)29-14-15-12-17(29)13-27-15)28-30(23)16-6-8-19(9-7-16)32-18-4-2-1-3-5-18/h1-9,15,17,20,26-27H,10-14H2,(H2,25,31)/t15-,17-,20?/m1/s1
InChIKeyFBJULHCAEAWLQY-LSOHHRALSA-N
XLogP2.67
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164537576) is 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is NC(=O)c1c2c(nn1-c1ccc(Oc3ccccc3)cc1)C(N1C[C@H]3C[C@@H]1CN3)CCN2.
What is the InChIKey of 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is FBJULHCAEAWLQY-LSOHHRALSA-N. The full InChI is InChI=1S/C24H26N6O2/c25-24(31)23-22-21(20(10-11-26-22)29-14-15-12-17(29)13-27-15)28-30(23)16-6-8-19(9-7-16)32-18-4-2-1-3-5-18/h1-9,15,17,20,26-27H,10-14H2,(H2,25,31)/t15-,17-,20?/m1/s1.
What are the key properties of 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164537576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).