N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide

C18H19F2N5OS — CID 58046384

IUPACN-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2[C@H](N)CCCC2(F)F)cc1-c1cnc2cccnn12
InChIInChI=1S/C18H19F2N5OS/c1-10-11(13-9-22-15-5-3-7-23-25(13)15)8-14(27-10)17(26)24-16-12(21)4-2-6-18(16,19)20/h3,5,7-9,12,16H,2,4,6,21H2,1H3,(H,24,26)/t12-,16?/m1/s1
InChIKeyRBKSVWDPSJPWNC-ZGTOLYCTSA-N
MW391.45 g/mol
LogP3.01
Rot. Bonds3

About N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide

N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide (PubChem CID 58046384) has the molecular formula C18H19F2N5OS and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
PubChem CID58046384
Molecular FormulaC18H19F2N5OS
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2[C@H](N)CCCC2(F)F)cc1-c1cnc2cccnn12
InChIInChI=1S/C18H19F2N5OS/c1-10-11(13-9-22-15-5-3-7-23-25(13)15)8-14(27-10)17(26)24-16-12(21)4-2-6-18(16,19)20/h3,5,7-9,12,16H,2,4,6,21H2,1H3,(H,24,26)/t12-,16?/m1/s1
InChIKeyRBKSVWDPSJPWNC-ZGTOLYCTSA-N
XLogP3.01
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide (CID 58046384) is N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC2[C@H](N)CCCC2(F)F)cc1-c1cnc2cccnn12.
What is the InChIKey of N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide?
The InChIKey is RBKSVWDPSJPWNC-ZGTOLYCTSA-N. The full InChI is InChI=1S/C18H19F2N5OS/c1-10-11(13-9-22-15-5-3-7-23-25(13)15)8-14(27-10)17(26)24-16-12(21)4-2-6-18(16,19)20/h3,5,7-9,12,16H,2,4,6,21H2,1H3,(H,24,26)/t12-,16?/m1/s1.
What are the key properties of N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide?
N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 58046384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).