2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C17H24ClN5 — CID 120908028

IUPAC2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.Cn1cc(CN2CCC3(CCNC3)C2)c(-c2cccnc2)n1
InChIInChI=1S/C17H23N5.ClH/c1-21-10-15(16(20-21)14-3-2-6-18-9-14)11-22-8-5-17(13-22)4-7-19-12-17;/h2-3,6,9-10,19H,4-5,7-8,11-13H2,1H3;1H
InChIKeyDKVBEYNNUVSBQT-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.09
Rot. Bonds3

About 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908028) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908028
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC Name2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.Cn1cc(CN2CCC3(CCNC3)C2)c(-c2cccnc2)n1
InChIInChI=1S/C17H23N5.ClH/c1-21-10-15(16(20-21)14-3-2-6-18-9-14)11-22-8-5-17(13-22)4-7-19-12-17;/h2-3,6,9-10,19H,4-5,7-8,11-13H2,1H3;1H
InChIKeyDKVBEYNNUVSBQT-UHFFFAOYSA-N
XLogP2.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907820
2-[[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120907960
9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
CID 139003598
2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908278
3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine
CID 126834124
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770095
2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908357
2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908077
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908028) is 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.Cn1cc(CN2CCC3(CCNC3)C2)c(-c2cccnc2)n1.
What is the InChIKey of 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is DKVBEYNNUVSBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.ClH/c1-21-10-15(16(20-21)14-3-2-6-18-9-14)11-22-8-5-17(13-22)4-7-19-12-17;/h2-3,6,9-10,19H,4-5,7-8,11-13H2,1H3;1H.
What are the key properties of 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 333.87 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).