1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine

C27H22N6 — CID 137087622

IUPAC1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine
SMILESc1ccc(CNCc2cccc(-c3cnc4n[nH]c(-c5cc6ncccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C27H22N6/c1-2-6-18(7-3-1)15-28-16-19-8-4-9-20(12-19)21-13-22-26(32-33-27(22)30-17-21)25-14-24-23(31-25)10-5-11-29-24/h1-14,17,28,31H,15-16H2,(H,30,32,33)
InChIKeyYVOILEOKSWDMEK-UHFFFAOYSA-N
MW430.52 g/mol
LogP5.46
Rot. Bonds6

About 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine

1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine (PubChem CID 137087622) has the molecular formula C27H22N6 and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine
PubChem CID137087622
Molecular FormulaC27H22N6
Molecular Weight430.52 g/mol
Exact Mass430.19
IUPAC Name1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine
SMILESc1ccc(CNCc2cccc(-c3cnc4n[nH]c(-c5cc6ncccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C27H22N6/c1-2-6-18(7-3-1)15-28-16-19-8-4-9-20(12-19)21-13-22-26(32-33-27(22)30-17-21)25-14-24-23(31-25)10-5-11-29-24/h1-14,17,28,31H,15-16H2,(H,30,32,33)
InChIKeyYVOILEOKSWDMEK-UHFFFAOYSA-N
XLogP5.46
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137087619
N-[[3-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]ethanamine
CID 137087602
5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041146
3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041218
3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137041175
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137311835
N-[[5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145250605
5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041330
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280752
N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 145245443
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 138604473
2-[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137145258

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine?
The IUPAC name of 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine (CID 137087622) is 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine is c1ccc(CNCc2cccc(-c3cnc4n[nH]c(-c5cc6ncccc6[nH]5)c4c3)c2)cc1.
What is the InChIKey of 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine?
The InChIKey is YVOILEOKSWDMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6/c1-2-6-18(7-3-1)15-28-16-19-8-4-9-20(12-19)21-13-22-26(32-33-27(22)30-17-21)25-14-24-23(31-25)10-5-11-29-24/h1-14,17,28,31H,15-16H2,(H,30,32,33).
What are the key properties of 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine?
1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine has a molecular weight of 430.52 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine is sourced from PubChem (CID 137087622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).