1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide

C17H19N5O2 — CID 118190053

IUPAC1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide
SMILESCn1cc(-c2c[nH]c3nccc(N4CCOCC4)c23)cc1C(N)=O
InChIInChI=1S/C17H19N5O2/c1-21-10-11(8-14(21)16(18)23)12-9-20-17-15(12)13(2-3-19-17)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H2,18,23)(H,19,20)
InChIKeyXFXKGXUNLYERGW-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.50
Rot. Bonds3

About 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide

1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide (PubChem CID 118190053) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide
PubChem CID118190053
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide
SMILESCn1cc(-c2c[nH]c3nccc(N4CCOCC4)c23)cc1C(N)=O
InChIInChI=1S/C17H19N5O2/c1-21-10-11(8-14(21)16(18)23)12-9-20-17-15(12)13(2-3-19-17)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H2,18,23)(H,19,20)
InChIKeyXFXKGXUNLYERGW-UHFFFAOYSA-N
XLogP1.50
TPSA89.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide (CID 118190053) is 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide is Cn1cc(-c2c[nH]c3nccc(N4CCOCC4)c23)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide?
The InChIKey is XFXKGXUNLYERGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-10-11(8-14(21)16(18)23)12-9-20-17-15(12)13(2-3-19-17)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H2,18,23)(H,19,20).
What are the key properties of 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide?
1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 118190053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).