1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one

C20H23N5O — CID 110259297

IUPAC1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
SMILESCc1cc(C)nc(C2CCN(C(=O)CCn3ncc4ccccc43)C2)n1
InChIInChI=1S/C20H23N5O/c1-14-11-15(2)23-20(22-14)17-7-9-24(13-17)19(26)8-10-25-18-6-4-3-5-16(18)12-21-25/h3-6,11-12,17H,7-10,13H2,1-2H3
InChIKeyKCSWCJPSYRBBLW-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.85
Rot. Bonds4

About 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one (PubChem CID 110259297) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
PubChem CID110259297
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
SMILESCc1cc(C)nc(C2CCN(C(=O)CCn3ncc4ccccc43)C2)n1
InChIInChI=1S/C20H23N5O/c1-14-11-15(2)23-20(22-14)17-7-9-24(13-17)19(26)8-10-25-18-6-4-3-5-16(18)12-21-25/h3-6,11-12,17H,7-10,13H2,1-2H3
InChIKeyKCSWCJPSYRBBLW-UHFFFAOYSA-N
XLogP2.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95829634
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 110259340
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 125024614
3-(benzotriazol-1-yl)-1-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125025012
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125020977
1-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110107960
(2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
CID 125007837
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110259293

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one (CID 110259297) is 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one is Cc1cc(C)nc(C2CCN(C(=O)CCn3ncc4ccccc43)C2)n1.
What is the InChIKey of 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one?
The InChIKey is KCSWCJPSYRBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-11-15(2)23-20(22-14)17-7-9-24(13-17)19(26)8-10-25-18-6-4-3-5-16(18)12-21-25/h3-6,11-12,17H,7-10,13H2,1-2H3.
What are the key properties of 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one?
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one has a molecular weight of 349.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one is sourced from PubChem (CID 110259297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).