[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate

C19H14FN5O3 — CID 66613961

IUPAC[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate
SMILESCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OC(=O)O
InChIInChI=1S/C19H14FN5O3/c1-11-15(28-19(26)27)9-22-17(23-11)16-13-6-4-8-21-18(13)25(24-16)10-12-5-2-3-7-14(12)20/h2-9H,10H2,1H3,(H,26,27)
InChIKeyYGBLXSSCTNYNMT-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.44
Rot. Bonds4

About [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate

[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate (PubChem CID 66613961) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate
PubChem CID66613961
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate
SMILESCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OC(=O)O
InChIInChI=1S/C19H14FN5O3/c1-11-15(28-19(26)27)9-22-17(23-11)16-13-6-4-8-21-18(13)25(24-16)10-12-5-2-3-7-14(12)20/h2-9H,10H2,1H3,(H,26,27)
InChIKeyYGBLXSSCTNYNMT-UHFFFAOYSA-N
XLogP3.44
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate?
The IUPAC name of [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate (CID 66613961) is [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate.
What is the SMILES notation for [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate?
The canonical SMILES for [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate is Cc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OC(=O)O.
What is the InChIKey of [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate?
The InChIKey is YGBLXSSCTNYNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c1-11-15(28-19(26)27)9-22-17(23-11)16-13-6-4-8-21-18(13)25(24-16)10-12-5-2-3-7-14(12)20/h2-9H,10H2,1H3,(H,26,27).
What are the key properties of [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate?
[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate has a molecular weight of 379.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methylpyrimidin-5-yl] hydrogen carbonate is sourced from PubChem (CID 66613961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).