1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one

C23H32N6O2 — CID 110263515

IUPAC1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1noc(CCC(=O)N2CCCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)n1
InChIInChI=1S/C23H32N6O2/c1-15-19-6-4-12-29(13-17-7-8-17)23(19)26-22(24-15)18-5-3-11-28(14-18)21(30)10-9-20-25-16(2)27-31-20/h17-18H,3-14H2,1-2H3
InChIKeyBYFQRVKJOLEGIK-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.98
Rot. Bonds6

About 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 110263515) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID110263515
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1noc(CCC(=O)N2CCCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)n1
InChIInChI=1S/C23H32N6O2/c1-15-19-6-4-12-29(13-17-7-8-17)23(19)26-22(24-15)18-5-3-11-28(14-18)21(30)10-9-20-25-16(2)27-31-20/h17-18H,3-14H2,1-2H3
InChIKeyBYFQRVKJOLEGIK-UHFFFAOYSA-N
XLogP2.98
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

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Related Compounds

[(3R)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 92622682
N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 110268690
[(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92622687
1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
CID 110263450
1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 92636309
3-methoxy-1-[(3R)-3-[8-[(4-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622431
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 113268925
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 94174272
1-[(3R)-3-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622415
2-methoxy-1-[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110263441
1-[(3S)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 92622635
4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261064

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 110263515) is 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one is Cc1noc(CCC(=O)N2CCCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)n1.
What is the InChIKey of 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is BYFQRVKJOLEGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-15-19-6-4-12-29(13-17-7-8-17)23(19)26-22(24-15)18-5-3-11-28(14-18)21(30)10-9-20-25-16(2)27-31-20/h17-18H,3-14H2,1-2H3.
What are the key properties of 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 424.55 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 110263515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).