8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C21H20N6O2 — CID 18374814

IUPAC8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1CC1CCCO1
InChIInChI=1S/C21H20N6O2/c28-19-9-4-15-13-22-21(25-20(15)26(19)14-18-3-1-12-29-18)24-16-5-7-17(8-6-16)27-11-2-10-23-27/h2,4-11,13,18H,1,3,12,14H2,(H,22,24,25)
InChIKeyKTZRHVBOPAEJJJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.90
Rot. Bonds5

About 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374814) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374814
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1CC1CCCO1
InChIInChI=1S/C21H20N6O2/c28-19-9-4-15-13-22-21(25-20(15)26(19)14-18-3-1-12-29-18)24-16-5-7-17(8-6-16)27-11-2-10-23-27/h2,4-11,13,18H,1,3,12,14H2,(H,22,24,25)
InChIKeyKTZRHVBOPAEJJJ-UHFFFAOYSA-N
XLogP2.90
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(cyclohexylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374998
8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374915
8-cyclopentyl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375032
8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374873
8-(2-methylcyclohexyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375231
8-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374795
8-[(3,5-dimethoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375244
2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 18375214
8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375307
8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375336
8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375039
8-[(4-chloro-2-nitrophenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375226

Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18374814) is 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1CC1CCCO1.
What is the InChIKey of 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KTZRHVBOPAEJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-19-9-4-15-13-22-21(25-20(15)26(19)14-18-3-1-12-29-18)24-16-5-7-17(8-6-16)27-11-2-10-23-27/h2,4-11,13,18H,1,3,12,14H2,(H,22,24,25).
What are the key properties of 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 388.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).