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

C24H32Cl2N6O2 — CID 154663208

IUPAC4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2CC(C)C(=O)N3)CC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H31ClN6O2.ClH/c1-15(2)26-13-20(17-4-6-18(25)7-5-17)24(33)31-10-8-30(9-11-31)22-19-12-16(3)23(32)29-21(19)27-14-28-22;/h4-7,14-16,20,26H,8-13H2,1-3H3,(H,27,28,29,32);1H/t16?,20-;/m1./s1
InChIKeyDZNFILRIPQRBJZ-ALAWQYECSA-N
MW507.47 g/mol
LogP3.11
Rot. Bonds6

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

4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 154663208) has the molecular formula C24H32Cl2N6O2 and a molecular weight of 507.47 g/mol. Its IUPAC name is 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride
PubChem CID154663208
Molecular FormulaC24H32Cl2N6O2
Molecular Weight507.47 g/mol
Exact Mass506.20
IUPAC Name4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2CC(C)C(=O)N3)CC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H31ClN6O2.ClH/c1-15(2)26-13-20(17-4-6-18(25)7-5-17)24(33)31-10-8-30(9-11-31)22-19-12-16(3)23(32)29-21(19)27-14-28-22;/h4-7,14-16,20,26H,8-13H2,1-3H3,(H,27,28,29,32);1H/t16?,20-;/m1./s1
InChIKeyDZNFILRIPQRBJZ-ALAWQYECSA-N
XLogP3.11
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The IUPAC name of 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 154663208) is 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride is CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2CC(C)C(=O)N3)CC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The InChIKey is DZNFILRIPQRBJZ-ALAWQYECSA-N. The full InChI is InChI=1S/C24H31ClN6O2.ClH/c1-15(2)26-13-20(17-4-6-18(25)7-5-17)24(33)31-10-8-30(9-11-31)22-19-12-16(3)23(32)29-21(19)27-14-28-22;/h4-7,14-16,20,26H,8-13H2,1-3H3,(H,27,28,29,32);1H/t16?,20-;/m1./s1.
What are the key properties of 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 507.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 154663208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).