7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C22H30N6O3 — CID 136735150

IUPAC7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)CC)C3)cn1
InChIInChI=1S/C22H30N6O3/c1-3-9-27-13-15(12-23-27)22(31)28-10-6-5-7-18(28)20-24-17-14-26(19(29)4-2)11-8-16(17)21(30)25-20/h12-13,18H,3-11,14H2,1-2H3,(H,24,25,30)/t18-/m1/s1
InChIKeyOIGRHPFMFKRQRD-GOSISDBHSA-N
MW426.52 g/mol
LogP2.04
Rot. Bonds5

About 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136735150) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136735150
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC Name7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)CC)C3)cn1
InChIInChI=1S/C22H30N6O3/c1-3-9-27-13-15(12-23-27)22(31)28-10-6-5-7-18(28)20-24-17-14-26(19(29)4-2)11-8-16(17)21(30)25-20/h12-13,18H,3-11,14H2,1-2H3,(H,24,25,30)/t18-/m1/s1
InChIKeyOIGRHPFMFKRQRD-GOSISDBHSA-N
XLogP2.04
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892005
2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796636
7-(cyclohexylmethyl)-2-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795754
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891985
2-[(2R)-1-(cyclopentanecarbonyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774689
7-butanoyl-2-[(2R)-1-[(2R)-2-methyl-3-pyrazol-1-ylpropanoyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892289
2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774699
7-butanoyl-2-[(2R)-1-(2-phenylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892307
7-acetyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774910
7-butanoyl-2-[(2S)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892304
7-butanoyl-2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892305
2-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774715

Frequently Asked Questions

What is the IUPAC name of 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136735150) is 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)CC)C3)cn1.
What is the InChIKey of 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OIGRHPFMFKRQRD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-3-9-27-13-15(12-23-27)22(31)28-10-6-5-7-18(28)20-24-17-14-26(19(29)4-2)11-8-16(17)21(30)25-20/h12-13,18H,3-11,14H2,1-2H3,(H,24,25,30)/t18-/m1/s1.
What are the key properties of 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 426.52 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136735150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).