2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H38N6O — CID 92630123

IUPAC2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCCN1C(=O)CCc2c(C)nc([C@@H]3CCCCN3Cc3c(C)nn(C(C)C)c3C)nc21
InChIInChI=1S/C25H38N6O/c1-7-13-30-23(32)12-11-20-17(4)26-24(27-25(20)30)22-10-8-9-14-29(22)15-21-18(5)28-31(16(2)3)19(21)6/h16,22H,7-15H2,1-6H3/t22-/m0/s1
InChIKeyGEPMUUMBPFAPJY-QFIPXVFZSA-N
MW438.62 g/mol
LogP4.60
Rot. Bonds6

About 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630123) has the molecular formula C25H38N6O and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630123
Molecular FormulaC25H38N6O
Molecular Weight438.62 g/mol
Exact Mass438.31
IUPAC Name2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCCN1C(=O)CCc2c(C)nc([C@@H]3CCCCN3Cc3c(C)nn(C(C)C)c3C)nc21
InChIInChI=1S/C25H38N6O/c1-7-13-30-23(32)12-11-20-17(4)26-24(27-25(20)30)22-10-8-9-14-29(22)15-21-18(5)28-31(16(2)3)19(21)6/h16,22H,7-15H2,1-6H3/t22-/m0/s1
InChIKeyGEPMUUMBPFAPJY-QFIPXVFZSA-N
XLogP4.60
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630123) is 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCCN1C(=O)CCc2c(C)nc([C@@H]3CCCCN3Cc3c(C)nn(C(C)C)c3C)nc21.
What is the InChIKey of 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GEPMUUMBPFAPJY-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H38N6O/c1-7-13-30-23(32)12-11-20-17(4)26-24(27-25(20)30)22-10-8-9-14-29(22)15-21-18(5)28-31(16(2)3)19(21)6/h16,22H,7-15H2,1-6H3/t22-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 438.62 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).