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

C26H22N6O — CID 18375214

IUPAC2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1C1CCc2ccccc2C1
InChIInChI=1S/C26H22N6O/c33-24-13-7-20-17-27-26(29-21-8-11-22(12-9-21)31-15-3-14-28-31)30-25(20)32(24)23-10-6-18-4-1-2-5-19(18)16-23/h1-5,7-9,11-15,17,23H,6,10,16H2,(H,27,29,30)
InChIKeyYYISLHFPZXMQGG-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.45
Rot. Bonds4

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

2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375214) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375214
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1C1CCc2ccccc2C1
InChIInChI=1S/C26H22N6O/c33-24-13-7-20-17-27-26(29-21-8-11-22(12-9-21)31-15-3-14-28-31)30-25(20)32(24)23-10-6-18-4-1-2-5-19(18)16-23/h1-5,7-9,11-15,17,23H,6,10,16H2,(H,27,29,30)
InChIKeyYYISLHFPZXMQGG-UHFFFAOYSA-N
XLogP4.45
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-cyclopentyl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375032
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-(2-methylcyclohexyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375231
8-(cyclohexylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374998
8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374814
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-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374915
8-(1-phenylprop-2-ynyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375109
8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375257
1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124690
8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375039
8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374873

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 18375214) is 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1C1CCc2ccccc2C1.
What is the InChIKey of 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YYISLHFPZXMQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c33-24-13-7-20-17-27-26(29-21-8-11-22(12-9-21)31-15-3-14-28-31)30-25(20)32(24)23-10-6-18-4-1-2-5-19(18)16-23/h1-5,7-9,11-15,17,23H,6,10,16H2,(H,27,29,30).
What are the key properties of 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?
2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 434.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).