(Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide

C26H35N7O2 — CID 142986421

IUPAC(Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide
SMILESC=C/N=C(\C=C/CN1CCNCC1)Nc1ncc2c(C)c(C(C)=O)c(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C26H35N7O2/c1-4-28-22(11-8-14-32-15-12-27-13-16-32)30-26-29-17-21-18(2)23(19(3)34)25(35)33(24(21)31-26)20-9-6-5-7-10-20/h4,8,11,17,20,27H,1,5-7,9-10,12-16H2,2-3H3,(H,28,29,30,31)/b11-8-
InChIKeyDEGRKUBFFKOYLQ-FLIBITNWSA-N
MW477.61 g/mol
LogP3.22
Rot. Bonds7

About (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide

(Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide (PubChem CID 142986421) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide
PubChem CID142986421
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC Name(Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide
SMILESC=C/N=C(\C=C/CN1CCNCC1)Nc1ncc2c(C)c(C(C)=O)c(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C26H35N7O2/c1-4-28-22(11-8-14-32-15-12-27-13-16-32)30-26-29-17-21-18(2)23(19(3)34)25(35)33(24(21)31-26)20-9-6-5-7-10-20/h4,8,11,17,20,27H,1,5-7,9-10,12-16H2,2-3H3,(H,28,29,30,31)/b11-8-
InChIKeyDEGRKUBFFKOYLQ-FLIBITNWSA-N
XLogP3.22
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide with MolForge

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Related Compounds

(2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide
CID 144744643
6-acetyl-8-cyclopentyl-5-methyl-2-[[4-(piperazin-1-ylmethyl)-3,4-dihydro-2H-azepin-7-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 177189038
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
6-acetyl-8-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856883
6-acetyl-8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856900
6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one;methanamine
CID 144744641
6-acetyl-8-cyclopentyl-2-[[5-(2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 129276109
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane
CID 166112371
6-acetyl-8-cyclopentyl-2-[[5-[4-[(4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 176736901
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 118699852

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide?
The IUPAC name of (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide (CID 142986421) is (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide?
The canonical SMILES for (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide is C=C/N=C(\C=C/CN1CCNCC1)Nc1ncc2c(C)c(C(C)=O)c(=O)n(C3CCCCC3)c2n1.
What is the InChIKey of (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide?
The InChIKey is DEGRKUBFFKOYLQ-FLIBITNWSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-4-28-22(11-8-14-32-15-12-27-13-16-32)30-26-29-17-21-18(2)23(19(3)34)25(35)33(24(21)31-26)20-9-6-5-7-10-20/h4,8,11,17,20,27H,1,5-7,9-10,12-16H2,2-3H3,(H,28,29,30,31)/b11-8-.
What are the key properties of (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide?
(Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide has a molecular weight of 477.61 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(6-acetyl-8-cyclohexyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-N'-ethenyl-4-piperazin-1-ylbut-2-enimidamide is sourced from PubChem (CID 142986421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).