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

C26H20FN9 — CID 137145354

IUPAC1-[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
SMILESNC1CN(c2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccc(F)c7)nccc6[nH]5)c4c3)n2)C1
InChIInChI=1S/C26H20FN9/c27-16-3-1-2-14(6-16)24-18-8-21(32-20(18)4-5-30-24)25-19-7-15(9-31-26(19)35-34-25)22-10-29-11-23(33-22)36-12-17(28)13-36/h1-11,17,32H,12-13,28H2,(H,31,34,35)
InChIKeyKDPYCPDHVULYEA-UHFFFAOYSA-N
MW477.51 g/mol
LogP3.91
Rot. Bonds4

About 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

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 (PubChem CID 137145354) has the molecular formula C26H20FN9 and a molecular weight of 477.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID137145354
Molecular FormulaC26H20FN9
Molecular Weight477.51 g/mol
Exact Mass477.18
IUPAC Name1-[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
SMILESNC1CN(c2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccc(F)c7)nccc6[nH]5)c4c3)n2)C1
InChIInChI=1S/C26H20FN9/c27-16-3-1-2-14(6-16)24-18-8-21(32-20(18)4-5-30-24)25-19-7-15(9-31-26(19)35-34-25)22-10-29-11-23(33-22)36-12-17(28)13-36/h1-11,17,32H,12-13,28H2,(H,31,34,35)
InChIKeyKDPYCPDHVULYEA-UHFFFAOYSA-N
XLogP3.91
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145295
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145368
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-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137145128
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137310881
1-[6-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137040202
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
CID 137103087
3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137145333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC1CN(c2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccc(F)c7)nccc6[nH]5)c4c3)n2)C1.
What is the InChIKey of 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?
The InChIKey is KDPYCPDHVULYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN9/c27-16-3-1-2-14(6-16)24-18-8-21(32-20(18)4-5-30-24)25-19-7-15(9-31-26(19)35-34-25)22-10-29-11-23(33-22)36-12-17(28)13-36/h1-11,17,32H,12-13,28H2,(H,31,34,35).
What are the key properties of 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?
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 has a molecular weight of 477.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137145354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).