N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

C32H24N8 — CID 145250588

IUPACN-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
SMILESC=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C32H24N8/c1-20(12-21-6-3-2-4-7-21)37-25-13-23(17-34-19-25)24-14-28-30(39-40-32(28)36-18-24)29-15-27-26(9-11-35-31(27)38-29)22-8-5-10-33-16-22/h2-11,13-19,37H,1,12H2,(H,35,38)(H,36,39,40)
InChIKeyJOTXOGCRQZKETF-UHFFFAOYSA-N
MW520.60 g/mol
LogP6.79
Rot. Bonds7

About N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145250588) has the molecular formula C32H24N8 and a molecular weight of 520.60 g/mol. Its IUPAC name is N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
PubChem CID145250588
Molecular FormulaC32H24N8
Molecular Weight520.60 g/mol
Exact Mass520.21
IUPAC NameN-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
SMILESC=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C32H24N8/c1-20(12-21-6-3-2-4-7-21)37-25-13-23(17-34-19-25)24-14-28-30(39-40-32(28)36-18-24)29-15-27-26(9-11-35-31(27)38-29)22-8-5-10-33-16-22/h2-11,13-19,37H,1,12H2,(H,35,38)(H,36,39,40)
InChIKeyJOTXOGCRQZKETF-UHFFFAOYSA-N
XLogP6.79
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine with MolForge

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Related Compounds

N-but-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145250464
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 138604383
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137040784
2-cyclohexyl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 138604193
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 138604166
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 138603998
2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137056042
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 159547911
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248329
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 138604128
2-cyclohexyl-N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137116632
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280752

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (CID 145250588) is N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is C=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1.
What is the InChIKey of N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is JOTXOGCRQZKETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N8/c1-20(12-21-6-3-2-4-7-21)37-25-13-23(17-34-19-25)24-14-28-30(39-40-32(28)36-18-24)29-15-27-26(9-11-35-31(27)38-29)22-8-5-10-33-16-22/h2-11,13-19,37H,1,12H2,(H,35,38)(H,36,39,40).
What are the key properties of N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 520.60 g/mol, XLogP of 6.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145250588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).