2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one

C20H17N5O2S — CID 137049075

IUPAC2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCc3ccccc32)cnn1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C20H17N5O2S/c1-12-14(19(27)24-9-4-6-13-5-2-3-7-16(13)24)11-21-25(12)20-22-15-8-10-28-17(15)18(26)23-20/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H,22,23,26)
InChIKeyCHWZPFIGRMXNFM-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.07
Rot. Bonds2

About 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137049075) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137049075
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCc3ccccc32)cnn1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C20H17N5O2S/c1-12-14(19(27)24-9-4-6-13-5-2-3-7-16(13)24)11-21-25(12)20-22-15-8-10-28-17(15)18(26)23-20/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H,22,23,26)
InChIKeyCHWZPFIGRMXNFM-UHFFFAOYSA-N
XLogP3.07
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-[4-(4-cyclopropylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049264
Cambridge id 5583804
CID 1350714
N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126739446
2-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750676
1-[5-methyl-1-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrazole-4-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 126750730
2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126758040
1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 136035925
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049045
2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049050
2-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049051
2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049054

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137049075) is 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1c(C(=O)N2CCCc3ccccc32)cnn1-c1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CHWZPFIGRMXNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12-14(19(27)24-9-4-6-13-5-2-3-7-16(13)24)11-21-25(12)20-22-15-8-10-28-17(15)18(26)23-20/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H,22,23,26).
What are the key properties of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 391.46 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137049075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).