5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide

C24H24N6O2 — CID 146610079

IUPAC5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1
InChIInChI=1S/C24H24N6O2/c31-24(25-7-6-17-4-2-1-3-5-17)23-26-13-18(14-27-23)21-16-29-22-20(21)12-19(15-28-22)30-8-10-32-11-9-30/h1-5,12-16H,6-11H2,(H,25,31)(H,28,29)
InChIKeyWEASPEQUHNRWEN-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.83
Rot. Bonds6

About 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide

5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide (PubChem CID 146610079) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
PubChem CID146610079
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1
InChIInChI=1S/C24H24N6O2/c31-24(25-7-6-17-4-2-1-3-5-17)23-26-13-18(14-27-23)21-16-29-22-20(21)12-19(15-28-22)30-8-10-32-11-9-30/h1-5,12-16H,6-11H2,(H,25,31)(H,28,29)
InChIKeyWEASPEQUHNRWEN-UHFFFAOYSA-N
XLogP2.83
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide?
The IUPAC name of 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide (CID 146610079) is 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide?
The canonical SMILES for 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide is O=C(NCCc1ccccc1)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1.
What is the InChIKey of 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide?
The InChIKey is WEASPEQUHNRWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-24(25-7-6-17-4-2-1-3-5-17)23-26-13-18(14-27-23)21-16-29-22-20(21)12-19(15-28-22)30-8-10-32-11-9-30/h1-5,12-16H,6-11H2,(H,25,31)(H,28,29).
What are the key properties of 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide?
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 146610079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).