N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide

C19H17FN4OS — CID 97104518

IUPACN-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1cccs1
InChIInChI=1S/C19H17FN4OS/c20-15-5-2-1-4-14(15)16-7-8-18(23-22-16)24-10-9-13(12-24)21-19(25)17-6-3-11-26-17/h1-8,11,13H,9-10,12H2,(H,21,25)/t13-/m0/s1
InChIKeyBANLVWFAJODBEV-ZDUSSCGKSA-N
MW368.44 g/mol
LogP3.35
Rot. Bonds4

About N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide

N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 97104518) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID97104518
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC NameN-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1cccs1
InChIInChI=1S/C19H17FN4OS/c20-15-5-2-1-4-14(15)16-7-8-18(23-22-16)24-10-9-13(12-24)21-19(25)17-6-3-11-26-17/h1-8,11,13H,9-10,12H2,(H,21,25)/t13-/m0/s1
InChIKeyBANLVWFAJODBEV-ZDUSSCGKSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide (CID 97104518) is N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide is O=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1cccs1.
What is the InChIKey of N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is BANLVWFAJODBEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN4OS/c20-15-5-2-1-4-14(15)16-7-8-18(23-22-16)24-10-9-13(12-24)21-19(25)17-6-3-11-26-17/h1-8,11,13H,9-10,12H2,(H,21,25)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide?
N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97104518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).