(5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C26H33ClN6O2 — CID 155038440

IUPAC(5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC12CC2)c1ccc(Cl)cc1
InChIInChI=1S/C26H33ClN6O2/c1-16(2)28-13-20(18-4-6-19(27)7-5-18)25(35)33-11-10-32(14-26(33)8-9-26)24-22-17(3)12-21(34)31-23(22)29-15-30-24/h4-7,15-17,20,28H,8-14H2,1-3H3,(H,29,30,31,34)/t17-,20-/m1/s1
InChIKeyMLQQEZBDGZMPOB-YLJYHZDGSA-N
MW497.04 g/mol
LogP3.54
Rot. Bonds6

About (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 155038440) has the molecular formula C26H33ClN6O2 and a molecular weight of 497.04 g/mol. Its IUPAC name is (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID155038440
Molecular FormulaC26H33ClN6O2
Molecular Weight497.04 g/mol
Exact Mass496.24
IUPAC Name(5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC12CC2)c1ccc(Cl)cc1
InChIInChI=1S/C26H33ClN6O2/c1-16(2)28-13-20(18-4-6-19(27)7-5-18)25(35)33-11-10-32(14-26(33)8-9-26)24-22-17(3)12-21(34)31-23(22)29-15-30-24/h4-7,15-17,20,28H,8-14H2,1-3H3,(H,29,30,31,34)/t17-,20-/m1/s1
InChIKeyMLQQEZBDGZMPOB-YLJYHZDGSA-N
XLogP3.54
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.04
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-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-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 155038440) is (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC12CC2)c1ccc(Cl)cc1.
What is the InChIKey of (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MLQQEZBDGZMPOB-YLJYHZDGSA-N. The full InChI is InChI=1S/C26H33ClN6O2/c1-16(2)28-13-20(18-4-6-19(27)7-5-18)25(35)33-11-10-32(14-26(33)8-9-26)24-22-17(3)12-21(34)31-23(22)29-15-30-24/h4-7,15-17,20,28H,8-14H2,1-3H3,(H,29,30,31,34)/t17-,20-/m1/s1.
What are the key properties of (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 497.04 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-4,7-diazaspiro[2.5]octan-7-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155038440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).