N-propan-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

C26H22N8 — CID 137034209

IUPACN-propan-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
SMILESCC(C)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C26H22N8/c1-15(2)31-19-8-17(12-28-14-19)18-9-22-24(33-34-26(22)30-13-18)23-10-21-20(5-7-29-25(21)32-23)16-4-3-6-27-11-16/h3-15,31H,1-2H3,(H,29,32)(H,30,33,34)
InChIKeyUGGJRLHZYPDRAG-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.45
Rot. Bonds5

About N-propan-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-propan-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 137034209) has the molecular formula C26H22N8 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-propan-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-propan-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 CID137034209
Molecular FormulaC26H22N8
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC NameN-propan-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
SMILESCC(C)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C26H22N8/c1-15(2)31-19-8-17(12-28-14-19)18-9-22-24(33-34-26(22)30-13-18)23-10-21-20(5-7-29-25(21)32-23)16-4-3-6-27-11-16/h3-15,31H,1-2H3,(H,29,32)(H,30,33,34)
InChIKeyUGGJRLHZYPDRAG-UHFFFAOYSA-N
XLogP5.45
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-propan-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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Frequently Asked Questions

What is the IUPAC name of N-propan-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-propan-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 137034209) is N-propan-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-propan-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-propan-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 CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1.
What is the InChIKey of N-propan-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 UGGJRLHZYPDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8/c1-15(2)31-19-8-17(12-28-14-19)18-9-22-24(33-34-26(22)30-13-18)23-10-21-20(5-7-29-25(21)32-23)16-4-3-6-27-11-16/h3-15,31H,1-2H3,(H,29,32)(H,30,33,34).
What are the key properties of N-propan-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-propan-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 446.52 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-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 137034209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).