8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C22H22N6O2 — CID 18374873

IUPAC8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCC1(Cn2c(=O)ccc3cnc(Nc4ccc(-n5cccn5)cc4)nc32)COC1
InChIInChI=1S/C22H22N6O2/c1-2-22(14-30-15-22)13-27-19(29)9-4-16-12-23-21(26-20(16)27)25-17-5-7-18(8-6-17)28-11-3-10-24-28/h3-12H,2,13-15H2,1H3,(H,23,25,26)
InChIKeyNFXJXKYPUMYSOY-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.15
Rot. Bonds6

About 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374873) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374873
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCC1(Cn2c(=O)ccc3cnc(Nc4ccc(-n5cccn5)cc4)nc32)COC1
InChIInChI=1S/C22H22N6O2/c1-2-22(14-30-15-22)13-27-19(29)9-4-16-12-23-21(26-20(16)27)25-17-5-7-18(8-6-17)28-11-3-10-24-28/h3-12H,2,13-15H2,1H3,(H,23,25,26)
InChIKeyNFXJXKYPUMYSOY-UHFFFAOYSA-N
XLogP3.15
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18374873) is 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCC1(Cn2c(=O)ccc3cnc(Nc4ccc(-n5cccn5)cc4)nc32)COC1.
What is the InChIKey of 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NFXJXKYPUMYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-2-22(14-30-15-22)13-27-19(29)9-4-16-12-23-21(26-20(16)27)25-17-5-7-18(8-6-17)28-11-3-10-24-28/h3-12H,2,13-15H2,1H3,(H,23,25,26).
What are the key properties of 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 402.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).