(4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone

C19H25FN4OS — CID 45218050

IUPAC(4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone
SMILESCc1cc(CN2CCCC2c2ccc(C(=O)N3CCC(F)CC3)s2)n[nH]1
InChIInChI=1S/C19H25FN4OS/c1-13-11-15(22-21-13)12-24-8-2-3-16(24)17-4-5-18(26-17)19(25)23-9-6-14(20)7-10-23/h4-5,11,14,16H,2-3,6-10,12H2,1H3,(H,21,22)
InChIKeyAVPKRFQRNFZHCB-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.69
Rot. Bonds4

About (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone

(4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone (PubChem CID 45218050) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone
PubChem CID45218050
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC Name(4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone
SMILESCc1cc(CN2CCCC2c2ccc(C(=O)N3CCC(F)CC3)s2)n[nH]1
InChIInChI=1S/C19H25FN4OS/c1-13-11-15(22-21-13)12-24-8-2-3-16(24)17-4-5-18(26-17)19(25)23-9-6-14(20)7-10-23/h4-5,11,14,16H,2-3,6-10,12H2,1H3,(H,21,22)
InChIKeyAVPKRFQRNFZHCB-UHFFFAOYSA-N
XLogP3.69
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
5-(5-methylthiophen-2-yl)-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
CID 45827434
1-(2-fluorophenyl)-4-[(3-thien-2-yl-1H-pyrazol-5-yl)carbonyl]piperazine
CID 20906445
5-(5-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 45818567
N-cyclopropyl-N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 45828609
1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676923
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 53498731
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 53574501
(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 56814125
N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-1-methyl-5-(2-thienyl)-1H-pyrazole-3-carboxamide
CID 70765721
4-{[5-(5-bromo-2-thienyl)-1H-pyrazol-3-yl]carbonyl}-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyrazinesulfonamide
CID 71705123
5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927144

Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone (CID 45218050) is (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone is Cc1cc(CN2CCCC2c2ccc(C(=O)N3CCC(F)CC3)s2)n[nH]1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone?
The InChIKey is AVPKRFQRNFZHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c1-13-11-15(22-21-13)12-24-8-2-3-16(24)17-4-5-18(26-17)19(25)23-9-6-14(20)7-10-23/h4-5,11,14,16H,2-3,6-10,12H2,1H3,(H,21,22).
What are the key properties of (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone?
(4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[5-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-2-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 45218050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).