N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide

C20H23F2N5O2S — CID 53327967

IUPACN-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnn2cc(OC)cnc12
InChIInChI=1S/C20H23F2N5O2S/c1-3-15-12(13-9-25-27-10-11(29-2)8-24-18(13)27)7-16(30-15)19(28)26-17-14(23)5-4-6-20(17,21)22/h7-10,14,17H,3-6,23H2,1-2H3,(H,26,28)
InChIKeyQVEHVSKQEDZJEX-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.27
Rot. Bonds5

About N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide

N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide (PubChem CID 53327967) has the molecular formula C20H23F2N5O2S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
PubChem CID53327967
Molecular FormulaC20H23F2N5O2S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnn2cc(OC)cnc12
InChIInChI=1S/C20H23F2N5O2S/c1-3-15-12(13-9-25-27-10-11(29-2)8-24-18(13)27)7-16(30-15)19(28)26-17-14(23)5-4-6-20(17,21)22/h7-10,14,17H,3-6,23H2,1-2H3,(H,26,28)
InChIKeyQVEHVSKQEDZJEX-UHFFFAOYSA-N
XLogP3.27
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-2,2-difluorocyclohexyl)-4-(6-ethoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-ethylthiophene-2-carboxamide
CID 53327968
N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethylthiophene-2-carboxamide
CID 53327972
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylthiophene-2-carboxamide
CID 86692126
N-[(1R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-5-methylthiophene-2-carboxamide
CID 163802500
N-tert-butyl-N-[(1R,2R)-2-[[5-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]-3,3-difluorocyclohexyl]carbamate
CID 86692131
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-ethyl-4-(6-propan-2-yloxy-6,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 118066561
N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 91481298
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
CID 58386003
N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide
CID 46842486
N-(6-amino-2,2-difluorocyclohexyl)-5-ethenyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 77187433
N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide
CID 67375825
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075572

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide (CID 53327967) is N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide is CCc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnn2cc(OC)cnc12.
What is the InChIKey of N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The InChIKey is QVEHVSKQEDZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O2S/c1-3-15-12(13-9-25-27-10-11(29-2)8-24-18(13)27)7-16(30-15)19(28)26-17-14(23)5-4-6-20(17,21)22/h7-10,14,17H,3-6,23H2,1-2H3,(H,26,28).
What are the key properties of N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53327967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).