(5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C25H32ClN5O2 — CID 154663183

IUPAC(5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NC[C@@H](C(=O)N1CCC(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H32ClN5O2/c1-15(2)27-13-20(17-4-6-19(26)7-5-17)25(33)31-10-8-18(9-11-31)23-22-16(3)12-21(32)30-24(22)29-14-28-23/h4-7,14-16,18,20,27H,8-13H2,1-3H3,(H,28,29,30,32)/t16-,20-/m1/s1
InChIKeyGOYYZWVHKVWBGY-OXQOHEQNSA-N
MW470.02 g/mol
LogP4.06
Rot. Bonds6

About (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 154663183) has the molecular formula C25H32ClN5O2 and a molecular weight of 470.02 g/mol. Its IUPAC name is (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID154663183
Molecular FormulaC25H32ClN5O2
Molecular Weight470.02 g/mol
Exact Mass469.22
IUPAC Name(5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NC[C@@H](C(=O)N1CCC(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H32ClN5O2/c1-15(2)27-13-20(17-4-6-19(26)7-5-17)25(33)31-10-8-18(9-11-31)23-22-16(3)12-21(32)30-24(22)29-14-28-23/h4-7,14-16,18,20,27H,8-13H2,1-3H3,(H,28,29,30,32)/t16-,20-/m1/s1
InChIKeyGOYYZWVHKVWBGY-OXQOHEQNSA-N
XLogP4.06
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 154663183) is (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)NC[C@@H](C(=O)N1CCC(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1.
What is the InChIKey of (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GOYYZWVHKVWBGY-OXQOHEQNSA-N. The full InChI is InChI=1S/C25H32ClN5O2/c1-15(2)27-13-20(17-4-6-19(26)7-5-17)25(33)31-10-8-18(9-11-31)23-22-16(3)12-21(32)30-24(22)29-14-28-23/h4-7,14-16,18,20,27H,8-13H2,1-3H3,(H,28,29,30,32)/t16-,20-/m1/s1.
What are the key properties of (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 470.02 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[1-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperidin-4-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 154663183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).