methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate

C19H17FN8O2 — CID 24794430

IUPACmethyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate
SMILESCOC(=O)Nc1c(N)nc(-n2nc(Cc3ccccc3F)c3ncccc32)nc1N
InChIInChI=1S/C19H17FN8O2/c1-30-19(29)24-15-16(21)25-18(26-17(15)22)28-13-7-4-8-23-14(13)12(27-28)9-10-5-2-3-6-11(10)20/h2-8H,9H2,1H3,(H,24,29)(H4,21,22,25,26)
InChIKeyIYRCWKDJESTPEU-UHFFFAOYSA-N
MW408.40 g/mol
LogP2.28
Rot. Bonds4

About methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate

methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate (PubChem CID 24794430) has the molecular formula C19H17FN8O2 and a molecular weight of 408.40 g/mol. Its IUPAC name is methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate
PubChem CID24794430
Molecular FormulaC19H17FN8O2
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC Namemethyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate
SMILESCOC(=O)Nc1c(N)nc(-n2nc(Cc3ccccc3F)c3ncccc32)nc1N
InChIInChI=1S/C19H17FN8O2/c1-30-19(29)24-15-16(21)25-18(26-17(15)22)28-13-7-4-8-23-14(13)12(27-28)9-10-5-2-3-6-11(10)20/h2-8H,9H2,1H3,(H,24,29)(H4,21,22,25,26)
InChIKeyIYRCWKDJESTPEU-UHFFFAOYSA-N
XLogP2.28
TPSA146.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate?
The IUPAC name of methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate (CID 24794430) is methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate.
What is the SMILES notation for methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate?
The canonical SMILES for methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate is COC(=O)Nc1c(N)nc(-n2nc(Cc3ccccc3F)c3ncccc32)nc1N.
What is the InChIKey of methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate?
The InChIKey is IYRCWKDJESTPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN8O2/c1-30-19(29)24-15-16(21)25-18(26-17(15)22)28-13-7-4-8-23-14(13)12(27-28)9-10-5-2-3-6-11(10)20/h2-8H,9H2,1H3,(H,24,29)(H4,21,22,25,26).
What are the key properties of methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate?
methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate has a molecular weight of 408.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4,6-diamino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate is sourced from PubChem (CID 24794430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).