6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C26H33N7O2 — CID 162533213

IUPAC6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C(C)C)c4n3)nc2)CC12CC2
InChIInChI=1S/C26H33N7O2/c1-6-32-12-11-31(15-26(32)9-10-26)19-7-8-21(27-13-19)29-25-28-14-20-17(4)22(18(5)34)24(35)33(16(2)3)23(20)30-25/h7-8,13-14,16H,6,9-12,15H2,1-5H3,(H,27,28,29,30)
InChIKeyPYHTYFNEXXIQCU-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.70
Rot. Bonds6

About 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 162533213) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID162533213
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C(C)C)c4n3)nc2)CC12CC2
InChIInChI=1S/C26H33N7O2/c1-6-32-12-11-31(15-26(32)9-10-26)19-7-8-21(27-13-19)29-25-28-14-20-17(4)22(18(5)34)24(35)33(16(2)3)23(20)30-25/h7-8,13-14,16H,6,9-12,15H2,1-5H3,(H,27,28,29,30)
InChIKeyPYHTYFNEXXIQCU-UHFFFAOYSA-N
XLogP3.70
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[6-[(6-acetyl-5-methyl-7-oxo-8-pentan-3-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]pentane-1,4-dione
CID 177189037
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
CID 178071364
2-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonylamino]acetic acid
CID 176718487
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
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]benzaldehyde
CID 129276161
6-acetyl-2-[[5-(3-aminopyrrolidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330299
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-(2,2,5,5-tetradeuteriocyclopentyl)pyrido[2,3-d]pyrimidin-7-one
CID 86296420
6-acetyl-5-methyl-8-(3,3,4,4-tetradeuteriocyclopentyl)-2-[[5-(3,3,5,5-tetradeuteriopiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 86297198
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-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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 162533213) is 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CCN1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C(C)C)c4n3)nc2)CC12CC2.
What is the InChIKey of 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PYHTYFNEXXIQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-6-32-12-11-31(15-26(32)9-10-26)19-7-8-21(27-13-19)29-25-28-14-20-17(4)22(18(5)34)24(35)33(16(2)3)23(20)30-25/h7-8,13-14,16H,6,9-12,15H2,1-5H3,(H,27,28,29,30).
What are the key properties of 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 475.60 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[[5-(4-ethyl-4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]amino]-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162533213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).