1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C23H28F6N4O5 — CID 171697336

IUPAC1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4O.2C2HF3O2/c1-14(2)22-9-7-19-17(12-22)18(21-23(19)11-15-5-6-15)13-24-16-4-3-8-20-10-16;2*3-2(4,5)1(6)7/h3-4,8,10,14-15H,5-7,9,11-13H2,1-2H3;2*(H,6,7)
InChIKeyIESAHJNAPHKAHP-UHFFFAOYSA-N
MW554.49 g/mol
LogP4.30
Rot. Bonds6

About 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)

1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171697336) has the molecular formula C23H28F6N4O5 and a molecular weight of 554.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171697336
Molecular FormulaC23H28F6N4O5
Molecular Weight554.49 g/mol
Exact Mass554.20
IUPAC Name1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4O.2C2HF3O2/c1-14(2)22-9-7-19-17(12-22)18(21-23(19)11-15-5-6-15)13-24-16-4-3-8-20-10-16;2*3-2(4,5)1(6)7/h3-4,8,10,14-15H,5-7,9,11-13H2,1-2H3;2*(H,6,7)
InChIKeyIESAHJNAPHKAHP-UHFFFAOYSA-N
XLogP4.30
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

5-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746640
1-(cyclopropylmethyl)-3-(methoxymethyl)-5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 118742250
1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 118742258
1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 71837214
1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(prop-2-enoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155869483
1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(prop-2-enoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 171695679
4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746859
methyl 2-[5-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetate
CID 82586085
7-propan-2-yl-3-(pyrimidin-5-yloxymethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118745215
6-(cyclopropylmethyl)-1-methyl-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118744502
(1-methylpyrrol-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 118745173
[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 71837250

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 171697336) is 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) is CC(C)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IESAHJNAPHKAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2C2HF3O2/c1-14(2)22-9-7-19-17(12-22)18(21-23(19)11-15-5-6-15)13-24-16-4-3-8-20-10-16;2*3-2(4,5)1(6)7/h3-4,8,10,14-15H,5-7,9,11-13H2,1-2H3;2*(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 554.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171697336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).