4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C23H28F6N4O5 — CID 118746927

IUPAC4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCCn1cc2c(n1)CN(Cc1ccncc1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4O.2C2HF3O2/c1-2-23-11-18-17(14-24-13-16-3-4-16)10-22(12-19(18)21-23)9-15-5-7-20-8-6-15;2*3-2(4,5)1(6)7/h5-8,11,16-17H,2-4,9-10,12-14H2,1H3;2*(H,6,7)
InChIKeyHABRJFMFYHFWLG-UHFFFAOYSA-N
MW554.49 g/mol
LogP4.09
Rot. Bonds7

About 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)

4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746927) has the molecular formula C23H28F6N4O5 and a molecular weight of 554.49 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746927
Molecular FormulaC23H28F6N4O5
Molecular Weight554.49 g/mol
Exact Mass554.20
IUPAC Name4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCCn1cc2c(n1)CN(Cc1ccncc1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N4O.2C2HF3O2/c1-2-23-11-18-17(14-24-13-16-3-4-16)10-22(12-19(18)21-23)9-15-5-7-20-8-6-15;2*3-2(4,5)1(6)7/h5-8,11,16-17H,2-4,9-10,12-14H2,1H3;2*(H,6,7)
InChIKeyHABRJFMFYHFWLG-UHFFFAOYSA-N
XLogP4.09
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739518
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739628
1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 118741007
4-(methoxymethyl)-2-methyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118741136
4-(methoxymethyl)-2-methyl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118741139
7-(cyclopropylmethoxymethyl)-2-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118741161
2-ethyl-7-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118741207
[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
CID 118744159
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
CID 118744169
7-(cyclopropylmethoxymethyl)-1-ethyl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118745708
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118746098
2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118746225

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746927) is 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is CCn1cc2c(n1)CN(Cc1ccncc1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is HABRJFMFYHFWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2C2HF3O2/c1-2-23-11-18-17(14-24-13-16-3-4-16)10-22(12-19(18)21-23)9-15-5-7-20-8-6-15;2*3-2(4,5)1(6)7/h5-8,11,16-17H,2-4,9-10,12-14H2,1H3;2*(H,6,7).
What are the key properties of 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 554.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).