4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one

C19H19FN8O2 — CID 142790424

IUPAC4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(F)cc(CN2NC=C3N=CN(Nc4cn[nH]c4)C=C32)c1
InChIInChI=1S/C19H19FN8O2/c20-14-3-13(4-16(5-14)27-1-2-30-11-19(27)29)9-28-18-10-26(12-21-17(18)8-24-28)25-15-6-22-23-7-15/h3-8,10,12,24-25H,1-2,9,11H2,(H,22,23)
InChIKeyXNOXAHWPTZKNCR-UHFFFAOYSA-N
MW410.41 g/mol
LogP1.29
Rot. Bonds5

About 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one

4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one (PubChem CID 142790424) has the molecular formula C19H19FN8O2 and a molecular weight of 410.41 g/mol. Its IUPAC name is 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one
PubChem CID142790424
Molecular FormulaC19H19FN8O2
Molecular Weight410.41 g/mol
Exact Mass410.16
IUPAC Name4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(F)cc(CN2NC=C3N=CN(Nc4cn[nH]c4)C=C32)c1
InChIInChI=1S/C19H19FN8O2/c20-14-3-13(4-16(5-14)27-1-2-30-11-19(27)29)9-28-18-10-26(12-21-17(18)8-24-28)25-15-6-22-23-7-15/h3-8,10,12,24-25H,1-2,9,11H2,(H,22,23)
InChIKeyXNOXAHWPTZKNCR-UHFFFAOYSA-N
XLogP1.29
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one?
The IUPAC name of 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one (CID 142790424) is 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one is O=C1COCCN1c1cc(F)cc(CN2NC=C3N=CN(Nc4cn[nH]c4)C=C32)c1.
What is the InChIKey of 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one?
The InChIKey is XNOXAHWPTZKNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8O2/c20-14-3-13(4-16(5-14)27-1-2-30-11-19(27)29)9-28-18-10-26(12-21-17(18)8-24-28)25-15-6-22-23-7-15/h3-8,10,12,24-25H,1-2,9,11H2,(H,22,23).
What are the key properties of 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one?
4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one has a molecular weight of 410.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[[6-(1H-pyrazol-4-ylamino)-2H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one is sourced from PubChem (CID 142790424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).