N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

C29H25N9O — CID 137109877

IUPACN-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESC1CCN(CC1)C2=C3C(=CN=C2)NC(=N3)C4=NNC5=C4N=C(C=C5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7
InChIInChI=1S/C29H25N9O/c39-29(18-7-3-1-4-8-18)32-20-13-19(14-30-15-20)21-9-10-22-26(33-21)27(37-36-22)28-34-23-16-31-17-24(25(23)35-28)38-11-5-2-6-12-38/h1,3-4,7-10,13-17H,2,5-6,11-12H2,(H,32,39)(H,34,35)(H,36,37)
InChIKeyFOOMWSLWMINVSU-UHFFFAOYSA-N
MW515.60 g/mol
LogP3.20
Rot. Bonds5

About N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137109877) has the molecular formula C29H25N9O and a molecular weight of 515.60 g/mol. Its IUPAC name is N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID137109877
Molecular FormulaC29H25N9O
Molecular Weight515.60 g/mol
Exact Mass515.22
IUPAC NameN-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESC1CCN(CC1)C2=C3C(=CN=C2)NC(=N3)C4=NNC5=C4N=C(C=C5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7
InChIInChI=1S/C29H25N9O/c39-29(18-7-3-1-4-8-18)32-20-13-19(14-30-15-20)21-9-10-22-26(33-21)27(37-36-22)28-34-23-16-31-17-24(25(23)35-28)38-11-5-2-6-12-38/h1,3-4,7-10,13-17H,2,5-6,11-12H2,(H,32,39)(H,34,35)(H,36,37)
InChIKeyFOOMWSLWMINVSU-UHFFFAOYSA-N
XLogP3.20
TPSA128.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity834

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.60
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide 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 N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137109877) is N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is C1CCN(CC1)C2=C3C(=CN=C2)NC(=N3)C4=NNC5=C4N=C(C=C5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7.
What is the InChIKey of N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is FOOMWSLWMINVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O/c39-29(18-7-3-1-4-8-18)32-20-13-19(14-30-15-20)21-9-10-22-26(33-21)27(37-36-22)28-34-23-16-31-17-24(25(23)35-28)38-11-5-2-6-12-38/h1,3-4,7-10,13-17H,2,5-6,11-12H2,(H,32,39)(H,34,35)(H,36,37).
What are the key properties of N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 515.60 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137109877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).