6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H26F2N4O2 — CID 136764131

IUPAC6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1
InChIInChI=1S/C23H26F2N4O2/c24-17-5-6-19(25)16(10-17)12-28-8-1-2-15(11-28)21-26-20-7-9-29(23(31)14-3-4-14)13-18(20)22(30)27-21/h5-6,10,14-15H,1-4,7-9,11-13H2,(H,26,27,30)/t15-/m0/s1
InChIKeyXHAWOOWPWAVXAY-HNNXBMFYSA-N
MW428.48 g/mol
LogP2.72
Rot. Bonds4

About 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136764131) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136764131
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1
InChIInChI=1S/C23H26F2N4O2/c24-17-5-6-19(25)16(10-17)12-28-8-1-2-15(11-28)21-26-20-7-9-29(23(31)14-3-4-14)13-18(20)22(30)27-21/h5-6,10,14-15H,1-4,7-9,11-13H2,(H,26,27,30)/t15-/m0/s1
InChIKeyXHAWOOWPWAVXAY-HNNXBMFYSA-N
XLogP2.72
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclopropanecarbonyl)-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735552
6-(cyclopropanecarbonyl)-2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891428
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
6-(cyclopropanecarbonyl)-2-[(3R)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735309
6-butanoyl-2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892271
6-(cyclopropanecarbonyl)-2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681348
2-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-6-(4-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860792
7-(cyclopropanecarbonyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681393
7-(cyclopropanecarbonyl)-2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136797039
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796228
6-(cyclopropanecarbonyl)-2-[1-[(5-methylthiophen-3-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796067
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796167

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136764131) is 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XHAWOOWPWAVXAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c24-17-5-6-19(25)16(10-17)12-28-8-1-2-15(11-28)21-26-20-7-9-29(23(31)14-3-4-14)13-18(20)22(30)27-21/h5-6,10,14-15H,1-4,7-9,11-13H2,(H,26,27,30)/t15-/m0/s1.
What are the key properties of 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 428.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonyl)-2-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136764131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).