2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine

C17H17FN8 — CID 137103346

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine
SMILESNC1=CNC(N)(c2nn(Cc3ccccc3F)c3ncccc23)N=C1N
InChIInChI=1S/C17H17FN8/c18-12-6-2-1-4-10(12)9-26-16-11(5-3-7-22-16)14(25-26)17(21)23-8-13(19)15(20)24-17/h1-8,23H,9,19,21H2,(H2,20,24)
InChIKeyDWIUFMSMKGHMMA-UHFFFAOYSA-N
MW352.38 g/mol
LogP0.45
Rot. Bonds3

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine (PubChem CID 137103346) has the molecular formula C17H17FN8 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine
PubChem CID137103346
Molecular FormulaC17H17FN8
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine
SMILESNC1=CNC(N)(c2nn(Cc3ccccc3F)c3ncccc23)N=C1N
InChIInChI=1S/C17H17FN8/c18-12-6-2-1-4-10(12)9-26-16-11(5-3-7-22-16)14(25-26)17(21)23-8-13(19)15(20)24-17/h1-8,23H,9,19,21H2,(H2,20,24)
InChIKeyDWIUFMSMKGHMMA-UHFFFAOYSA-N
XLogP0.45
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
CID 142142282
[4,6-diamino-1-chloro-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methylpyrimidin-5-yl]-propan-2-ylcarbamic acid
CID 87074613
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 66613971
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
CID 137444694
5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 163681818
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
3-[4,6-diamino-5-(sulfinamoylamino)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 130245216
3-(1-fluoroethyl)-6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrazin-2-amine
CID 151866830
1-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-ol
CID 134499366

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine (CID 137103346) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine is NC1=CNC(N)(c2nn(Cc3ccccc3F)c3ncccc23)N=C1N.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine?
The InChIKey is DWIUFMSMKGHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN8/c18-12-6-2-1-4-10(12)9-26-16-11(5-3-7-22-16)14(25-26)17(21)23-8-13(19)15(20)24-17/h1-8,23H,9,19,21H2,(H2,20,24).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine has a molecular weight of 352.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine is sourced from PubChem (CID 137103346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).