6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one

C17H19N5O3 — CID 95978664

IUPAC6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1cnn([C@H]2CCCN(C(=O)c3c(C)oc4nc[nH]c(=O)c34)C2)c1
InChIInChI=1S/C17H19N5O3/c1-10-6-20-22(7-10)12-4-3-5-21(8-12)17(24)13-11(2)25-16-14(13)15(23)18-9-19-16/h6-7,9,12H,3-5,8H2,1-2H3,(H,18,19,23)/t12-/m0/s1
InChIKeyUQXJXDLGWZRBTM-LBPRGKRZSA-N
MW341.37 g/mol
LogP1.81
Rot. Bonds2

About 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one

6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 95978664) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID95978664
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1cnn([C@H]2CCCN(C(=O)c3c(C)oc4nc[nH]c(=O)c34)C2)c1
InChIInChI=1S/C17H19N5O3/c1-10-6-20-22(7-10)12-4-3-5-21(8-12)17(24)13-11(2)25-16-14(13)15(23)18-9-19-16/h6-7,9,12H,3-5,8H2,1-2H3,(H,18,19,23)/t12-/m0/s1
InChIKeyUQXJXDLGWZRBTM-LBPRGKRZSA-N
XLogP1.81
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 31940137
5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 79404295
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate
CID 55869782
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 95282732
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one (CID 95978664) is 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one is Cc1cnn([C@H]2CCCN(C(=O)c3c(C)oc4nc[nH]c(=O)c34)C2)c1.
What is the InChIKey of 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is UQXJXDLGWZRBTM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-6-20-22(7-10)12-4-3-5-21(8-12)17(24)13-11(2)25-16-14(13)15(23)18-9-19-16/h6-7,9,12H,3-5,8H2,1-2H3,(H,18,19,23)/t12-/m0/s1.
What are the key properties of 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one?
6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 341.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 95978664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).