1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

C25H20N10 — CID 137040927

IUPAC1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
SMILESNC1CN(c2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7ccncc7)cncc6[nH]5)c4c3)n2)C1
InChIInChI=1S/C25H20N10/c26-16-12-35(13-16)23-11-29-9-21(32-23)15-5-18-24(33-34-25(18)30-7-15)20-6-17-19(8-28-10-22(17)31-20)14-1-3-27-4-2-14/h1-11,16,31H,12-13,26H2,(H,30,33,34)
InChIKeyLODCOKHPGWPXCF-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.17
Rot. Bonds4

About 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 137040927) has the molecular formula C25H20N10 and a molecular weight of 460.51 g/mol. Its IUPAC name is 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
PubChem CID137040927
Molecular FormulaC25H20N10
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
SMILESNC1CN(c2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7ccncc7)cncc6[nH]5)c4c3)n2)C1
InChIInChI=1S/C25H20N10/c26-16-12-35(13-16)23-11-29-9-21(32-23)15-5-18-24(33-34-25(18)30-7-15)20-6-17-19(8-28-10-22(17)31-20)14-1-3-27-4-2-14/h1-11,16,31H,12-13,26H2,(H,30,33,34)
InChIKeyLODCOKHPGWPXCF-UHFFFAOYSA-N
XLogP3.17
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine with MolForge

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Related Compounds

1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137117012
1-[6-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137145354
N-[[3-[2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137040890
3-[2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol
CID 137116915
1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136945532
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040349
1-[6-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137112098
1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136945636
3-[2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136945909
5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137039999
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137040180
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040606

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?
The IUPAC name of 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 137040927) is 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.
What is the SMILES notation for 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?
The canonical SMILES for 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is NC1CN(c2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7ccncc7)cncc6[nH]5)c4c3)n2)C1.
What is the InChIKey of 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?
The InChIKey is LODCOKHPGWPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N10/c26-16-12-35(13-16)23-11-29-9-21(32-23)15-5-18-24(33-34-25(18)30-7-15)20-6-17-19(8-28-10-22(17)31-20)14-1-3-27-4-2-14/h1-11,16,31H,12-13,26H2,(H,30,33,34).
What are the key properties of 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?
1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 460.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 137040927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).