(4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone

C18H19N5O — CID 124995909

IUPAC(4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CC(Cc2nccc3ccn(C)c23)C1
InChIInChI=1S/C18H19N5O/c1-12-15(8-19-11-21-12)18(24)23-9-13(10-23)7-16-17-14(3-5-20-16)4-6-22(17)2/h3-6,8,11,13H,7,9-10H2,1-2H3
InChIKeyQPHKHQWRADEDEG-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.99
Rot. Bonds3

About (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone

(4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone (PubChem CID 124995909) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
PubChem CID124995909
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CC(Cc2nccc3ccn(C)c23)C1
InChIInChI=1S/C18H19N5O/c1-12-15(8-19-11-21-12)18(24)23-9-13(10-23)7-16-17-14(3-5-20-16)4-6-22(17)2/h3-6,8,11,13H,7,9-10H2,1-2H3
InChIKeyQPHKHQWRADEDEG-UHFFFAOYSA-N
XLogP1.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone
CID 124950682
[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone
CID 124987529
[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone
CID 175652273
2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one
CID 124946692
2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
CID 175652282
1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
CID 127245813
1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
CID 124978555
[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124991197
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 133112076
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone (CID 124995909) is (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone is Cc1ncncc1C(=O)N1CC(Cc2nccc3ccn(C)c23)C1.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The InChIKey is QPHKHQWRADEDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-15(8-19-11-21-12)18(24)23-9-13(10-23)7-16-17-14(3-5-20-16)4-6-22(17)2/h3-6,8,11,13H,7,9-10H2,1-2H3.
What are the key properties of (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
(4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone is sourced from PubChem (CID 124995909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).