N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide

C28H28N6O3 — CID 22225281

IUPACN-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C28H28N6O3/c1-18-24-12-13-25(36)34(22-6-2-19(3-7-22)27(37)30-20-4-5-20)26(24)31-28(29-18)33-16-14-32(15-17-33)21-8-10-23(35)11-9-21/h2-3,6-13,20,35H,4-5,14-17H2,1H3,(H,30,37)
InChIKeyLYYKFABZCOSBAO-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.01
Rot. Bonds5

About N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide

N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (PubChem CID 22225281) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
PubChem CID22225281
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC NameN-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C28H28N6O3/c1-18-24-12-13-25(36)34(22-6-2-19(3-7-22)27(37)30-20-4-5-20)26(24)31-28(29-18)33-16-14-32(15-17-33)21-8-10-23(35)11-9-21/h2-3,6-13,20,35H,4-5,14-17H2,1H3,(H,30,37)
InChIKeyLYYKFABZCOSBAO-UHFFFAOYSA-N
XLogP3.01
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[[4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid
CID 22225386
4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide
CID 22225180
4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide
CID 22225291
4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 10459691
4-[2-(4-benzylpiperazin-1-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225342
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-octylbenzamide
CID 22225186
4-[2-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-benzylbenzamide
CID 22225428
4-[[[4-[2-(4-acetyl-4-phenylpiperidin-1-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid
CID 22225152
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 22225137
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide
CID 155102861

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (CID 22225281) is N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The InChIKey is LYYKFABZCOSBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-18-24-12-13-25(36)34(22-6-2-19(3-7-22)27(37)30-20-4-5-20)26(24)31-28(29-18)33-16-14-32(15-17-33)21-8-10-23(35)11-9-21/h2-3,6-13,20,35H,4-5,14-17H2,1H3,(H,30,37).
What are the key properties of N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide has a molecular weight of 496.57 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is sourced from PubChem (CID 22225281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).