4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol

C18H21BrN4O — CID 175935281

IUPAC4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol
SMILESNC1=NCCc2c1c(-c1ccc(Br)cc1)nn2C1CCC(O)CC1
InChIInChI=1S/C18H21BrN4O/c19-12-3-1-11(2-4-12)17-16-15(9-10-21-18(16)20)23(22-17)13-5-7-14(24)8-6-13/h1-4,13-14,24H,5-10H2,(H2,20,21)
InChIKeyYDACWTPUVIUMTJ-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.05
Rot. Bonds2

About 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol

4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol (PubChem CID 175935281) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol
PubChem CID175935281
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol
SMILESNC1=NCCc2c1c(-c1ccc(Br)cc1)nn2C1CCC(O)CC1
InChIInChI=1S/C18H21BrN4O/c19-12-3-1-11(2-4-12)17-16-15(9-10-21-18(16)20)23(22-17)13-5-7-14(24)8-6-13/h1-4,13-14,24H,5-10H2,(H2,20,21)
InChIKeyYDACWTPUVIUMTJ-UHFFFAOYSA-N
XLogP3.05
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

ethyl 3-(4-bromophenyl)-1-(3-hydroxycyclopentyl)-4-isocyanopyrazole-5-carboxylate
CID 176774284
[5-[5-amino-3-(4-bromophenyl)-4-isocyanopyrazol-1-yl]oxan-2-yl]methanol
CID 176774290
4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 121416972
5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide
CID 129247929
4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one
CID 163720363
3-(4-bromophenyl)-4-cyano-1-cyclopentylpyrazole-5-carboxylic acid
CID 166732147
3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine
CID 151356653
4-[6-amino-3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 71280835
N-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]formamide
CID 88890629
3,5-bis(4-bromophenyl)-4-cyclopropyl-1,2,4-triazole
CID 170665123
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
3-(4-chlorophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 59752530

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol (CID 175935281) is 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol is NC1=NCCc2c1c(-c1ccc(Br)cc1)nn2C1CCC(O)CC1.
What is the InChIKey of 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol?
The InChIKey is YDACWTPUVIUMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c19-12-3-1-11(2-4-12)17-16-15(9-10-21-18(16)20)23(22-17)13-5-7-14(24)8-6-13/h1-4,13-14,24H,5-10H2,(H2,20,21).
What are the key properties of 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol?
4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol has a molecular weight of 389.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 175935281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).