[1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

C18H21N5O — CID 74236966

IUPAC[1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCc1nc2ccccc2nc1CN1CCc2c(c(CO)nn2C)C1
InChIInChI=1S/C18H21N5O/c1-12-16(20-15-6-4-3-5-14(15)19-12)10-23-8-7-18-13(9-23)17(11-24)21-22(18)2/h3-6,24H,7-11H2,1-2H3
InChIKeyMTOFTOQKVPCIRQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.72
Rot. Bonds3

About [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

[1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 74236966) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID74236966
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCc1nc2ccccc2nc1CN1CCc2c(c(CO)nn2C)C1
InChIInChI=1S/C18H21N5O/c1-12-16(20-15-6-4-3-5-14(15)19-12)10-23-8-7-18-13(9-23)17(11-24)21-22(18)2/h3-6,24H,7-11H2,1-2H3
InChIKeyMTOFTOQKVPCIRQ-UHFFFAOYSA-N
XLogP1.72
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 74241965
[1-methyl-5-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 77093768
[1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26140975
[1-methyl-5-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 98324186
2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91836314
N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
CID 91913333
3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91842699
[1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 131934798
[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72911179
3-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405714
5-ethyl-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405713
(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
CID 70786002

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 74236966) is [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is Cc1nc2ccccc2nc1CN1CCc2c(c(CO)nn2C)C1.
What is the InChIKey of [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is MTOFTOQKVPCIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-16(20-15-6-4-3-5-14(15)19-12)10-23-8-7-18-13(9-23)17(11-24)21-22(18)2/h3-6,24H,7-11H2,1-2H3.
What are the key properties of [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 323.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 74236966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).