1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide

C16H17N5O — CID 170938053

IUPAC1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)Cn1cc(-c2cncnc2)c2ccc(C(N)=O)nc21
InChIInChI=1S/C16H17N5O/c1-10(2)7-21-8-13(11-5-18-9-19-6-11)12-3-4-14(15(17)22)20-16(12)21/h3-6,8-10H,7H2,1-2H3,(H2,17,22)
InChIKeyPVNQJKFRSMOJLB-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide

1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 170938053) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID170938053
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)Cn1cc(-c2cncnc2)c2ccc(C(N)=O)nc21
InChIInChI=1S/C16H17N5O/c1-10(2)7-21-8-13(11-5-18-9-19-6-11)12-3-4-14(15(17)22)20-16(12)21/h3-6,8-10H,7H2,1-2H3,(H2,17,22)
InChIKeyPVNQJKFRSMOJLB-UHFFFAOYSA-N
XLogP2.25
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide (CID 170938053) is 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide is CC(C)Cn1cc(-c2cncnc2)c2ccc(C(N)=O)nc21.
What is the InChIKey of 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is PVNQJKFRSMOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10(2)7-21-8-13(11-5-18-9-19-6-11)12-3-4-14(15(17)22)20-16(12)21/h3-6,8-10H,7H2,1-2H3,(H2,17,22).
What are the key properties of 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide?
1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 170938053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).