6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C21H28F2N4 — CID 155875507

IUPAC6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCC(C)n1nc(CN2CCCC2)c2c1CN(Cc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C21H28F2N4/c1-15(2)27-21-14-26(12-16-5-6-18(22)19(23)11-16)10-7-17(21)20(24-27)13-25-8-3-4-9-25/h5-6,11,15H,3-4,7-10,12-14H2,1-2H3
InChIKeyKTFUHXDRLQDHHX-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.90
Rot. Bonds5

About 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 155875507) has the molecular formula C21H28F2N4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID155875507
Molecular FormulaC21H28F2N4
Molecular Weight374.48 g/mol
Exact Mass374.23
IUPAC Name6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCC(C)n1nc(CN2CCCC2)c2c1CN(Cc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C21H28F2N4/c1-15(2)27-21-14-26(12-16-5-6-18(22)19(23)11-16)10-7-17(21)20(24-27)13-25-8-3-4-9-25/h5-6,11,15H,3-4,7-10,12-14H2,1-2H3
InChIKeyKTFUHXDRLQDHHX-UHFFFAOYSA-N
XLogP3.90
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine with MolForge

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Related Compounds

5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
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6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97381634
8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
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7-[(3,4-difluorophenyl)methyl]-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 42367633
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
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
1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine
CID 169075487
1-[(3,4-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-5-one
CID 42366284
2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865019
1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 155876294

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 155875507) is 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is CC(C)n1nc(CN2CCCC2)c2c1CN(Cc1ccc(F)c(F)c1)CC2.
What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is KTFUHXDRLQDHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N4/c1-15(2)27-21-14-26(12-16-5-6-18(22)19(23)11-16)10-7-17(21)20(24-27)13-25-8-3-4-9-25/h5-6,11,15H,3-4,7-10,12-14H2,1-2H3.
What are the key properties of 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 374.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 155875507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).