7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane

C17H23N5 — CID 97411922

IUPAC7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
SMILESCc1cccc(N2CC3(CCN(Cc4cnn(C)c4)C3)C2)n1
InChIInChI=1S/C17H23N5/c1-14-4-3-5-16(19-14)22-12-17(13-22)6-7-21(11-17)10-15-8-18-20(2)9-15/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyYIKUOTNIONKYBC-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.84
Rot. Bonds3

About 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane

7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97411922) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
PubChem CID97411922
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
SMILESCc1cccc(N2CC3(CCN(Cc4cnn(C)c4)C3)C2)n1
InChIInChI=1S/C17H23N5/c1-14-4-3-5-16(19-14)22-12-17(13-22)6-7-21(11-17)10-15-8-18-20(2)9-15/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyYIKUOTNIONKYBC-UHFFFAOYSA-N
XLogP1.84
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
CID 97472683
2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
CID 97392832
2-(benzenesulfonyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 97392899
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
[7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 97472688
2-[(4-fluorophenyl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155842471
10-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660491
10-[(1-methylpyrazol-4-yl)methyl]-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131646488
4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130920691
7-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155863142
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
2-(3,3-dimethylazetidin-1-yl)-6-methylpyridine
CID 142297268

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane (CID 97411922) is 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane is Cc1cccc(N2CC3(CCN(Cc4cnn(C)c4)C3)C2)n1.
What is the InChIKey of 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is YIKUOTNIONKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-4-3-5-16(19-14)22-12-17(13-22)6-7-21(11-17)10-15-8-18-20(2)9-15/h3-5,8-9H,6-7,10-13H2,1-2H3.
What are the key properties of 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 297.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97411922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).