1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

C19H24F3N3O4 — CID 118742258

IUPAC1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOCc1nn(CC2CC2)c2c1CN(Cc1ccco1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3O2.C2HF3O2/c1-21-12-16-15-11-19(10-14-3-2-8-22-14)7-6-17(15)20(18-16)9-13-4-5-13;3-2(4,5)1(6)7/h2-3,8,13H,4-7,9-12H2,1H3;(H,6,7)
InChIKeyFKPASQDQTHXUFL-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.22
Rot. Bonds6

About 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118742258) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118742258
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC Name1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOCc1nn(CC2CC2)c2c1CN(Cc1ccco1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3O2.C2HF3O2/c1-21-12-16-15-11-19(10-14-3-2-8-22-14)7-6-17(15)20(18-16)9-13-4-5-13;3-2(4,5)1(6)7/h2-3,8,13H,4-7,9-12H2,1H3;(H,6,7)
InChIKeyFKPASQDQTHXUFL-UHFFFAOYSA-N
XLogP3.22
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 118742264
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
3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405724
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
[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 71837250
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
8-(furan-2-ylmethyl)-4-(methoxymethyl)-2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859618
3-(methoxymethyl)-1-propan-2-yl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746180
6-(furan-2-ylmethyl)-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155829954
[5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155863348

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (CID 118742258) is 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is COCc1nn(CC2CC2)c2c1CN(Cc1ccco1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is FKPASQDQTHXUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.C2HF3O2/c1-21-12-16-15-11-19(10-14-3-2-8-22-14)7-6-17(15)20(18-16)9-13-4-5-13;3-2(4,5)1(6)7/h2-3,8,13H,4-7,9-12H2,1H3;(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 415.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).