N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide

C17H17F2N5OS — CID 58046409

IUPACN-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
SMILESN[C@H]1CCCC(F)(F)C1NC(=O)c1cc(-c2cnc3cccnn23)cs1
InChIInChI=1S/C17H17F2N5OS/c18-17(19)5-1-3-11(20)15(17)23-16(25)13-7-10(9-26-13)12-8-21-14-4-2-6-22-24(12)14/h2,4,6-9,11,15H,1,3,5,20H2,(H,23,25)/t11-,15?/m0/s1
InChIKeyVQUYUSDGYQLMQE-VPHXOMNUSA-N
MW377.42 g/mol
LogP2.70
Rot. Bonds3

About N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide

N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide (PubChem CID 58046409) has the molecular formula C17H17F2N5OS and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
PubChem CID58046409
Molecular FormulaC17H17F2N5OS
Molecular Weight377.42 g/mol
Exact Mass377.11
IUPAC NameN-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
SMILESN[C@H]1CCCC(F)(F)C1NC(=O)c1cc(-c2cnc3cccnn23)cs1
InChIInChI=1S/C17H17F2N5OS/c18-17(19)5-1-3-11(20)15(17)23-16(25)13-7-10(9-26-13)12-8-21-14-4-2-6-22-24(12)14/h2,4,6-9,11,15H,1,3,5,20H2,(H,23,25)/t11-,15?/m0/s1
InChIKeyVQUYUSDGYQLMQE-VPHXOMNUSA-N
XLogP2.70
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide (CID 58046409) is N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide is N[C@H]1CCCC(F)(F)C1NC(=O)c1cc(-c2cnc3cccnn23)cs1.
What is the InChIKey of N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The InChIKey is VQUYUSDGYQLMQE-VPHXOMNUSA-N. The full InChI is InChI=1S/C17H17F2N5OS/c18-17(19)5-1-3-11(20)15(17)23-16(25)13-7-10(9-26-13)12-8-21-14-4-2-6-22-24(12)14/h2,4,6-9,11,15H,1,3,5,20H2,(H,23,25)/t11-,15?/m0/s1.
What are the key properties of N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 58046409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).