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

C23H32N6O2 — CID 136796070

IUPAC6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCn1cc(CN2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)cn1
InChIInChI=1S/C23H32N6O2/c1-2-8-29-14-16(12-24-29)13-27-9-5-17(6-10-27)21-25-20-7-11-28(23(31)18-3-4-18)15-19(20)22(30)26-21/h12,14,17-18H,2-11,13,15H2,1H3,(H,25,26,30)
InChIKeyMMOXALYZZKLSKS-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.05
Rot. Bonds6

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

6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796070) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796070
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCn1cc(CN2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)cn1
InChIInChI=1S/C23H32N6O2/c1-2-8-29-14-16(12-24-29)13-27-9-5-17(6-10-27)21-25-20-7-11-28(23(31)18-3-4-18)15-19(20)22(30)26-21/h12,14,17-18H,2-11,13,15H2,1H3,(H,25,26,30)
InChIKeyMMOXALYZZKLSKS-UHFFFAOYSA-N
XLogP2.05
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(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
6-butanoyl-2-[1-(quinoxalin-6-ylmethyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795701
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796031
6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795990
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-6-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735616
2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136764019
6-butanoyl-2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796058
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

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796070) is 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCn1cc(CN2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)cn1.
What is the InChIKey of 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MMOXALYZZKLSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-2-8-29-14-16(12-24-29)13-27-9-5-17(6-10-27)21-25-20-7-11-28(23(31)18-3-4-18)15-19(20)22(30)26-21/h12,14,17-18H,2-11,13,15H2,1H3,(H,25,26,30).
What are the key properties of 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 424.55 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).