(4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone

C17H17N5O — CID 124950682

IUPAC(4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CC(Cc2nccc3cc[nH]c23)C1
InChIInChI=1S/C17H17N5O/c1-11-14(7-18-10-21-11)17(23)22-8-12(9-22)6-15-16-13(2-4-19-15)3-5-20-16/h2-5,7,10,12,20H,6,8-9H2,1H3
InChIKeyDDHIKWVUGIXVCX-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.98
Rot. Bonds3

About (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone

(4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone (PubChem CID 124950682) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone
PubChem CID124950682
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CC(Cc2nccc3cc[nH]c23)C1
InChIInChI=1S/C17H17N5O/c1-11-14(7-18-10-21-11)17(23)22-8-12(9-22)6-15-16-13(2-4-19-15)3-5-20-16/h2-5,7,10,12,20H,6,8-9H2,1H3
InChIKeyDDHIKWVUGIXVCX-UHFFFAOYSA-N
XLogP1.98
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone (CID 124950682) is (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone is Cc1ncncc1C(=O)N1CC(Cc2nccc3cc[nH]c23)C1.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone?
The InChIKey is DDHIKWVUGIXVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-14(7-18-10-21-11)17(23)22-8-12(9-22)6-15-16-13(2-4-19-15)3-5-20-16/h2-5,7,10,12,20H,6,8-9H2,1H3.
What are the key properties of (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone?
(4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[3-(1H-pyrrolo[2,3-c]pyridin-7-ylmethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 124950682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).