N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

C19H27F3N4O4 — CID 155833645

IUPACN-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NC(=O)C3CC3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-20-8-12(7-18-20)9-21-10-14-3-2-6-23-16(14)15(11-21)19-17(22)13-4-5-13;3-2(4,5)1(6)7/h7-8,13-16H,2-6,9-11H2,1H3,(H,19,22);(H,6,7)/t14-,15+,16-;/m0./s1
InChIKeyNDQZYUJUPFALNU-CLUYDPBTSA-N
MW432.44 g/mol
LogP1.56
Rot. Bonds4

About N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155833645) has the molecular formula C19H27F3N4O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID155833645
Molecular FormulaC19H27F3N4O4
Molecular Weight432.44 g/mol
Exact Mass432.20
IUPAC NameN-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NC(=O)C3CC3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-20-8-12(7-18-20)9-21-10-14-3-2-6-23-16(14)15(11-21)19-17(22)13-4-5-13;3-2(4,5)1(6)7/h7-8,13-16H,2-6,9-11H2,1H3,(H,19,22);(H,6,7)/t14-,15+,16-;/m0./s1
InChIKeyNDQZYUJUPFALNU-CLUYDPBTSA-N
XLogP1.56
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 155833645) is N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is Cn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NC(=O)C3CC3)C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NDQZYUJUPFALNU-CLUYDPBTSA-N. The full InChI is InChI=1S/C17H26N4O2.C2HF3O2/c1-20-8-12(7-18-20)9-21-10-14-3-2-6-23-16(14)15(11-21)19-17(22)13-4-5-13;3-2(4,5)1(6)7/h7-8,13-16H,2-6,9-11H2,1H3,(H,19,22);(H,6,7)/t14-,15+,16-;/m0./s1.
What are the key properties of N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 432.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).