N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide

C26H25F3N4O2S — CID 58386032

IUPACN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccc(F)cc2)cn2ncc(-c3cc(C(=O)N[C@@H]4[C@H](N)CCCC4(F)F)sc3C)c12
InChIInChI=1S/C26H25F3N4O2S/c1-14-18(11-22(36-14)25(34)32-24-20(30)4-3-9-26(24,28)29)19-12-31-33-13-16(10-21(35-2)23(19)33)15-5-7-17(27)8-6-15/h5-8,10-13,20,24H,3-4,9,30H2,1-2H3,(H,32,34)/t20-,24-/m1/s1
InChIKeyBMNNZCWQUHRFPZ-HYBUGGRVSA-N
MW514.57 g/mol
LogP5.43
Rot. Bonds5

About N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide

N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide (PubChem CID 58386032) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide
PubChem CID58386032
Molecular FormulaC26H25F3N4O2S
Molecular Weight514.57 g/mol
Exact Mass514.17
IUPAC NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccc(F)cc2)cn2ncc(-c3cc(C(=O)N[C@@H]4[C@H](N)CCCC4(F)F)sc3C)c12
InChIInChI=1S/C26H25F3N4O2S/c1-14-18(11-22(36-14)25(34)32-24-20(30)4-3-9-26(24,28)29)19-12-31-33-13-16(10-21(35-2)23(19)33)15-5-7-17(27)8-6-15/h5-8,10-13,20,24H,3-4,9,30H2,1-2H3,(H,32,34)/t20-,24-/m1/s1
InChIKeyBMNNZCWQUHRFPZ-HYBUGGRVSA-N
XLogP5.43
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.57
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide (CID 58386032) is N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide is COc1cc(-c2ccc(F)cc2)cn2ncc(-c3cc(C(=O)N[C@@H]4[C@H](N)CCCC4(F)F)sc3C)c12.
What is the InChIKey of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is BMNNZCWQUHRFPZ-HYBUGGRVSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-14-18(11-22(36-14)25(34)32-24-20(30)4-3-9-26(24,28)29)19-12-31-33-13-16(10-21(35-2)23(19)33)15-5-7-17(27)8-6-15/h5-8,10-13,20,24H,3-4,9,30H2,1-2H3,(H,32,34)/t20-,24-/m1/s1.
What are the key properties of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide?
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 514.57 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 58386032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).