3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane

C25H32N6O4 — CID 157466769

IUPAC3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane
SMILESCCCOCC.Nc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(=O)NO)c3)ccc12
InChIInChI=1S/C20H20N6O3.C5H12O/c21-16-14-4-5-15(12-2-1-3-13(10-12)18(27)25-28)22-17(14)24-19(23-16)26-8-9-29-20(11-26)6-7-20;1-3-5-6-4-2/h1-5,10,28H,6-9,11H2,(H,25,27)(H2,21,22,23,24);3-5H2,1-2H3
InChIKeyBUOMLJMVXVUBIP-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.20
Rot. Bonds6

About 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane

3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane (PubChem CID 157466769) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane.

Molecular Properties

Compound Name3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane
PubChem CID157466769
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Name3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane
SMILESCCCOCC.Nc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(=O)NO)c3)ccc12
InChIInChI=1S/C20H20N6O3.C5H12O/c21-16-14-4-5-15(12-2-1-3-13(10-12)18(27)25-28)22-17(14)24-19(23-16)26-8-9-29-20(11-26)6-7-20;1-3-5-6-4-2/h1-5,10,28H,6-9,11H2,(H,25,27)(H2,21,22,23,24);3-5H2,1-2H3
InChIKeyBUOMLJMVXVUBIP-UHFFFAOYSA-N
XLogP3.20
TPSA135.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
CID 155631510
3-[4-amino-2-(2-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631497
3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane
CID 160939112
3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631478
2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 155631501
3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155631453
methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate
CID 155239068
7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 155631479
N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(5R)-6-oxa-2-thia-9-azaspiro[4.5]decan-9-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155131267
3-[2-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155239057
3-[4-amino-2-[(6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631438
N'-methanimidoyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzenecarboximidamide
CID 155131220

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane?
The IUPAC name of 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane (CID 157466769) is 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane.
What is the SMILES notation for 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane?
The canonical SMILES for 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane is CCCOCC.Nc1nc(N2CCOC3(CC3)C2)nc2nc(-c3cccc(C(=O)NO)c3)ccc12.
What is the InChIKey of 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane?
The InChIKey is BUOMLJMVXVUBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3.C5H12O/c21-16-14-4-5-15(12-2-1-3-13(10-12)18(27)25-28)22-17(14)24-19(23-16)26-8-9-29-20(11-26)6-7-20;1-3-5-6-4-2/h1-5,10,28H,6-9,11H2,(H,25,27)(H2,21,22,23,24);3-5H2,1-2H3.
What are the key properties of 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane?
3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane has a molecular weight of 480.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane is sourced from PubChem (CID 157466769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).