2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine

C17H13FN8O — CID 89103239

IUPAC2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine
SMILESNc1nc(-n2nc(Cc3ccccc3F)c3ncccc32)nc(N)c1N=O
InChIInChI=1S/C17H13FN8O/c18-10-5-2-1-4-9(10)8-11-13-12(6-3-7-21-13)26(24-11)17-22-15(19)14(25-27)16(20)23-17/h1-7H,8H2,(H4,19,20,22,23)
InChIKeyWQWCETXEBGUTQL-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.50
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine

2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine (PubChem CID 89103239) has the molecular formula C17H13FN8O and a molecular weight of 364.34 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine
PubChem CID89103239
Molecular FormulaC17H13FN8O
Molecular Weight364.34 g/mol
Exact Mass364.12
IUPAC Name2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine
SMILESNc1nc(-n2nc(Cc3ccccc3F)c3ncccc32)nc(N)c1N=O
InChIInChI=1S/C17H13FN8O/c18-10-5-2-1-4-9(10)8-11-13-12(6-3-7-21-13)26(24-11)17-22-15(19)14(25-27)16(20)23-17/h1-7H,8H2,(H4,19,20,22,23)
InChIKeyWQWCETXEBGUTQL-UHFFFAOYSA-N
XLogP2.50
TPSA137.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid
CID 118247345
[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid
CID 118247350
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285464
methyl N-benzyl-N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate
CID 57330770
1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine
CID 134498771
ethyl N-benzyl-N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate
CID 57330769
methyl N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 69256014
6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one
CID 162659623
methyl N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-N-[(3-ethylphenyl)methyl]carbamate
CID 123609111
methyl 2-[(2-bromophenyl)methyl-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]amino]acetate
CID 123686346
(4R)-10-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-4-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3,6-dione
CID 169021076
4-amino-2-[5-chloro-3-[(2-fluorophenyl)methyl]indazol-1-yl]-5-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 89438394

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine (CID 89103239) is 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine is Nc1nc(-n2nc(Cc3ccccc3F)c3ncccc32)nc(N)c1N=O.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine?
The InChIKey is WQWCETXEBGUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN8O/c18-10-5-2-1-4-9(10)8-11-13-12(6-3-7-21-13)26(24-11)17-22-15(19)14(25-27)16(20)23-17/h1-7H,8H2,(H4,19,20,22,23).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine?
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine has a molecular weight of 364.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine is sourced from PubChem (CID 89103239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).