(1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C18H15N5O — CID 11290079

IUPAC(1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)nn1C
InChIInChI=1S/C18H15N5O/c1-11-6-16(22-23(11)2)17(24)15-10-21-18-14(15)7-13(9-20-18)12-4-3-5-19-8-12/h3-10H,1-2H3,(H,20,21)
InChIKeyLNSVTGRRXBPWPY-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.90
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 11290079) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID11290079
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name(1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)nn1C
InChIInChI=1S/C18H15N5O/c1-11-6-16(22-23(11)2)17(24)15-10-21-18-14(15)7-13(9-20-18)12-4-3-5-19-8-12/h3-10H,1-2H3,(H,20,21)
InChIKeyLNSVTGRRXBPWPY-UHFFFAOYSA-N
XLogP2.90
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 11290079) is (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1cc(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is LNSVTGRRXBPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-6-16(22-23(11)2)17(24)15-10-21-18-14(15)7-13(9-20-18)12-4-3-5-19-8-12/h3-10H,1-2H3,(H,20,21).
What are the key properties of (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 317.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 11290079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).