[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

C20H23N5O — CID 110105995

IUPAC[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCc1cc(N(C)C)cc(C2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1
InChIInChI=1S/C20H23N5O/c1-13-10-15(24(2)3)11-18(21-13)14-8-9-25(12-14)20(26)19-16-6-4-5-7-17(16)22-23-19/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,23)
InChIKeyWDPMSVXSQCTPCT-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.96
Rot. Bonds3

About [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 110105995) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID110105995
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCc1cc(N(C)C)cc(C2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1
InChIInChI=1S/C20H23N5O/c1-13-10-15(24(2)3)11-18(21-13)14-8-9-25(12-14)20(26)19-16-6-4-5-7-17(16)22-23-19/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,23)
InChIKeyWDPMSVXSQCTPCT-UHFFFAOYSA-N
XLogP2.96
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 175658969
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124983966
[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845523
5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 124963837
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124986912
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124993779
(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95834667
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95737303
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 110105993

Frequently Asked Questions

What is the IUPAC name of [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (CID 110105995) is [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is Cc1cc(N(C)C)cc(C2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1.
What is the InChIKey of [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is WDPMSVXSQCTPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-10-15(24(2)3)11-18(21-13)14-8-9-25(12-14)20(26)19-16-6-4-5-7-17(16)22-23-19/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,23).
What are the key properties of [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 110105995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).