(2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide

C18H18FN5O2S — CID 124890507

IUPAC(2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide
SMILESCOc1cc(F)ccc1NNC(=O)[C@H]1CCCN1c1ncnc2sccc12
InChIInChI=1S/C18H18FN5O2S/c1-26-15-9-11(19)4-5-13(15)22-23-17(25)14-3-2-7-24(14)16-12-6-8-27-18(12)21-10-20-16/h4-6,8-10,14,22H,2-3,7H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyVPQZMKHHNDFMEN-CQSZACIVSA-N
MW387.44 g/mol
LogP2.95
Rot. Bonds5

About (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide

(2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide (PubChem CID 124890507) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide
PubChem CID124890507
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC Name(2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide
SMILESCOc1cc(F)ccc1NNC(=O)[C@H]1CCCN1c1ncnc2sccc12
InChIInChI=1S/C18H18FN5O2S/c1-26-15-9-11(19)4-5-13(15)22-23-17(25)14-3-2-7-24(14)16-12-6-8-27-18(12)21-10-20-16/h4-6,8-10,14,22H,2-3,7H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyVPQZMKHHNDFMEN-CQSZACIVSA-N
XLogP2.95
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-chloro-4-fluorophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 164637755
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481
(2S)-N-(3-fluoro-4-methylsulfanylphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95777396
N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 119220790
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119176994
N-(3-hydroxybutyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 111429149
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
(2R)-N,N-diethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95140151
(2S)-N-(4-cyanophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95305384
(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119376355
piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119403348

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide?
The IUPAC name of (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide (CID 124890507) is (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide?
The canonical SMILES for (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide is COc1cc(F)ccc1NNC(=O)[C@H]1CCCN1c1ncnc2sccc12.
What is the InChIKey of (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide?
The InChIKey is VPQZMKHHNDFMEN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-26-15-9-11(19)4-5-13(15)22-23-17(25)14-3-2-7-24(14)16-12-6-8-27-18(12)21-10-20-16/h4-6,8-10,14,22H,2-3,7H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide?
(2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide has a molecular weight of 387.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 124890507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).