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

C19H24F3N3O4 — CID 118742264

IUPAC3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCn1nc(COCC2CC2)c2c1CCN(Cc1ccco1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3O2.C2HF3O2/c1-19-17-6-7-20(9-14-3-2-8-22-14)10-15(17)16(18-19)12-21-11-13-4-5-13;3-2(4,5)1(6)7/h2-3,8,13H,4-7,9-12H2,1H3;(H,6,7)
InChIKeyBBMNRIPWKYMSCS-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.13
Rot. Bonds6

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

3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118742264) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118742264
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC Name3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCn1nc(COCC2CC2)c2c1CCN(Cc1ccco1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3O2.C2HF3O2/c1-19-17-6-7-20(9-14-3-2-8-22-14)10-15(17)16(18-19)12-21-11-13-4-5-13;3-2(4,5)1(6)7/h2-3,8,13H,4-7,9-12H2,1H3;(H,6,7)
InChIKeyBBMNRIPWKYMSCS-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405724
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-(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)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118744333
1-methyl-3-(prop-2-enoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 155857263
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
7-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118743188
4a-(cyclopropylmethoxymethyl)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155859538
[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,3-difluorocyclobutyl)methanone
CID 131696889
1-[3-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(1H-pyrrol-2-yl)propan-1-one;oxalic acid
CID 155870492
8-[2-(cyclopropylmethoxy)ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862381

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (CID 118742264) is 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is Cn1nc(COCC2CC2)c2c1CCN(Cc1ccco1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is BBMNRIPWKYMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.C2HF3O2/c1-19-17-6-7-20(9-14-3-2-8-22-14)10-15(17)16(18-19)12-21-11-13-4-5-13;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 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-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 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).