methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate

C19H15F2N7O2 — CID 66634902

IUPACmethyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
SMILESCOC(=O)Nc1cnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N
InChIInChI=1S/C19H15F2N7O2/c1-30-19(29)25-14-8-23-17(26-16(14)22)15-12-6-11(20)7-24-18(12)28(27-15)9-10-4-2-3-5-13(10)21/h2-8H,9H2,1H3,(H,25,29)(H2,22,23,26)
InChIKeySVFKNETVWHHJST-UHFFFAOYSA-N
MW411.37 g/mol
LogP2.98
Rot. Bonds4

About methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate

methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate (PubChem CID 66634902) has the molecular formula C19H15F2N7O2 and a molecular weight of 411.37 g/mol. Its IUPAC name is methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
PubChem CID66634902
Molecular FormulaC19H15F2N7O2
Molecular Weight411.37 g/mol
Exact Mass411.13
IUPAC Namemethyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
SMILESCOC(=O)Nc1cnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N
InChIInChI=1S/C19H15F2N7O2/c1-30-19(29)25-14-8-23-17(26-16(14)22)15-12-6-11(20)7-24-18(12)28(27-15)9-10-4-2-3-5-13(10)21/h2-8H,9H2,1H3,(H,25,29)(H2,22,23,26)
InChIKeySVFKNETVWHHJST-UHFFFAOYSA-N
XLogP2.98
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate?
The IUPAC name of methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate (CID 66634902) is methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate.
What is the SMILES notation for methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate?
The canonical SMILES for methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate is COC(=O)Nc1cnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N.
What is the InChIKey of methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate?
The InChIKey is SVFKNETVWHHJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7O2/c1-30-19(29)25-14-8-23-17(26-16(14)22)15-12-6-11(20)7-24-18(12)28(27-15)9-10-4-2-3-5-13(10)21/h2-8H,9H2,1H3,(H,25,29)(H2,22,23,26).
What are the key properties of methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate?
methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate has a molecular weight of 411.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate is sourced from PubChem (CID 66634902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).