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

C25H25N9O — CID 137041778

IUPACN-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3n2)c1
InChIInChI=1S/C25H25N9O/c1-2-20(35)28-16-12-15(13-26-14-16)17-6-7-18-21(29-17)23(33-32-18)25-30-22-19(8-9-27-24(22)31-25)34-10-4-3-5-11-34/h6-9,12-14H,2-5,10-11H2,1H3,(H,28,35)(H,32,33)(H,27,30,31)
InChIKeyGDAKGBQDCZVDKR-UHFFFAOYSA-N
MW467.54 g/mol
LogP4.30
Rot. Bonds5

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

N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137041778) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID137041778
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC NameN-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3n2)c1
InChIInChI=1S/C25H25N9O/c1-2-20(35)28-16-12-15(13-26-14-16)17-6-7-18-21(29-17)23(33-32-18)25-30-22-19(8-9-27-24(22)31-25)34-10-4-3-5-11-34/h6-9,12-14H,2-5,10-11H2,1H3,(H,28,35)(H,32,33)(H,27,30,31)
InChIKeyGDAKGBQDCZVDKR-UHFFFAOYSA-N
XLogP4.30
TPSA128.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137041778) is N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3n2)c1.
What is the InChIKey of N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is GDAKGBQDCZVDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c1-2-20(35)28-16-12-15(13-26-14-16)17-6-7-18-21(29-17)23(33-32-18)25-30-22-19(8-9-27-24(22)31-25)34-10-4-3-5-11-34/h6-9,12-14H,2-5,10-11H2,1H3,(H,28,35)(H,32,33)(H,27,30,31).
What are the key properties of N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 467.54 g/mol, XLogP of 4.30, 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-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137041778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).