2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide

C20H18F2N6OS — CID 122536357

IUPAC2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csc2ncc(N[C@@H]3CCCC(F)(F)[C@@H]3N)nc12
InChIInChI=1S/C20H18F2N6OS/c21-20(22)7-3-6-14(17(20)24)26-15-9-25-19-16(28-15)12(10-30-19)18(29)27-13-5-2-1-4-11(13)8-23/h1-2,4-5,9-10,14,17H,3,6-7,24H2,(H,26,28)(H,27,29)/t14-,17-/m1/s1
InChIKeyYXAPEQQICQCNIL-RHSMWYFYSA-N
MW428.47 g/mol
LogP3.74
Rot. Bonds4

About 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide

2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide (PubChem CID 122536357) has the molecular formula C20H18F2N6OS and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide
PubChem CID122536357
Molecular FormulaC20H18F2N6OS
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csc2ncc(N[C@@H]3CCCC(F)(F)[C@@H]3N)nc12
InChIInChI=1S/C20H18F2N6OS/c21-20(22)7-3-6-14(17(20)24)26-15-9-25-19-16(28-15)12(10-30-19)18(29)27-13-5-2-1-4-11(13)8-23/h1-2,4-5,9-10,14,17H,3,6-7,24H2,(H,26,28)(H,27,29)/t14-,17-/m1/s1
InChIKeyYXAPEQQICQCNIL-RHSMWYFYSA-N
XLogP3.74
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-bromophenyl)thieno[2,3-b]pyrazine-7-carboxamide
CID 122536376
N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
CID 122515314
2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(3-cyano-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134262268
5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122540794
2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-[4-(difluoromethyl)thiophen-3-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 122515383
N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 6468576
2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-chlorothiophen-3-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134262231
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-bromothiophen-3-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122541862
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516555

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide (CID 122536357) is 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide is N#Cc1ccccc1NC(=O)c1csc2ncc(N[C@@H]3CCCC(F)(F)[C@@H]3N)nc12.
What is the InChIKey of 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YXAPEQQICQCNIL-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H18F2N6OS/c21-20(22)7-3-6-14(17(20)24)26-15-9-25-19-16(28-15)12(10-30-19)18(29)27-13-5-2-1-4-11(13)8-23/h1-2,4-5,9-10,14,17H,3,6-7,24H2,(H,26,28)(H,27,29)/t14-,17-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide?
2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122536357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).