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

C30H26FN9O — CID 137102025

IUPACN-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2ncc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2F)c1
InChIInChI=1S/C30H26FN9O/c31-25-24-21(17-34-26(25)19-14-20(16-32-15-19)35-23(41)13-18-7-3-1-4-8-18)38-39-28(24)30-36-27-22(9-10-33-29(27)37-30)40-11-5-2-6-12-40/h1,3-4,7-10,14-17H,2,5-6,11-13H2,(H,35,41)(H,38,39)(H,33,36,37)
InChIKeyQPJUXBABADEZLW-UHFFFAOYSA-N
MW547.60 g/mol
LogP5.27
Rot. Bonds6

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

N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 137102025) has the molecular formula C30H26FN9O and a molecular weight of 547.60 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID137102025
Molecular FormulaC30H26FN9O
Molecular Weight547.60 g/mol
Exact Mass547.22
IUPAC NameN-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2ncc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2F)c1
InChIInChI=1S/C30H26FN9O/c31-25-24-21(17-34-26(25)19-14-20(16-32-15-19)35-23(41)13-18-7-3-1-4-8-18)38-39-28(24)30-36-27-22(9-10-33-29(27)37-30)40-11-5-2-6-12-40/h1,3-4,7-10,14-17H,2,5-6,11-13H2,(H,35,41)(H,38,39)(H,33,36,37)
InChIKeyQPJUXBABADEZLW-UHFFFAOYSA-N
XLogP5.27
TPSA128.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.60
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 137102025) is N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cncc(-c2ncc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2F)c1.
What is the InChIKey of N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is QPJUXBABADEZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN9O/c31-25-24-21(17-34-26(25)19-14-20(16-32-15-19)35-23(41)13-18-7-3-1-4-8-18)38-39-28(24)30-36-27-22(9-10-33-29(27)37-30)40-11-5-2-6-12-40/h1,3-4,7-10,14-17H,2,5-6,11-13H2,(H,35,41)(H,38,39)(H,33,36,37).
What are the key properties of N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?
N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 547.60 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 137102025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).