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

C30H21N9O — CID 137041591

IUPAC2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3n2)c1
InChIInChI=1S/C30H21N9O/c40-25(14-18-4-2-1-3-5-18)34-21-15-20(16-32-17-21)23-6-7-24-27(35-23)28(39-38-24)30-36-26-22(10-13-33-29(26)37-30)19-8-11-31-12-9-19/h1-13,15-17H,14H2,(H,34,40)(H,38,39)(H,33,36,37)
InChIKeyBUIKQPWVHPFFNQ-UHFFFAOYSA-N
MW523.56 g/mol
LogP5.20
Rot. Bonds6

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

2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137041591) has the molecular formula C30H21N9O and a molecular weight of 523.56 g/mol. Its IUPAC name is 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID137041591
Molecular FormulaC30H21N9O
Molecular Weight523.56 g/mol
Exact Mass523.19
IUPAC Name2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3n2)c1
InChIInChI=1S/C30H21N9O/c40-25(14-18-4-2-1-3-5-18)34-21-15-20(16-32-17-21)23-6-7-24-27(35-23)28(39-38-24)30-36-26-22(10-13-33-29(26)37-30)19-8-11-31-12-9-19/h1-13,15-17H,14H2,(H,34,40)(H,38,39)(H,33,36,37)
InChIKeyBUIKQPWVHPFFNQ-UHFFFAOYSA-N
XLogP5.20
TPSA138.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.56
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137041591) is 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3n2)c1.
What is the InChIKey of 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is BUIKQPWVHPFFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N9O/c40-25(14-18-4-2-1-3-5-18)34-21-15-20(16-32-17-21)23-6-7-24-27(35-23)28(39-38-24)30-36-26-22(10-13-33-29(26)37-30)19-8-11-31-12-9-19/h1-13,15-17H,14H2,(H,34,40)(H,38,39)(H,33,36,37).
What are the key properties of 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 523.56 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137041591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).