N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

C20H18N6O2 — CID 59200042

IUPACN-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCOc1ccc2c(n1)c(C)cn2NC(=O)c1cnc(-c2ccccn2)nc1C
InChIInChI=1S/C20H18N6O2/c1-12-11-26(16-7-8-17(28-3)24-18(12)16)25-20(27)14-10-22-19(23-13(14)2)15-6-4-5-9-21-15/h4-11H,1-3H3,(H,25,27)
InChIKeyQWZRDUVHMMGWFQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.90
Rot. Bonds4

About N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 59200042) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID59200042
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCOc1ccc2c(n1)c(C)cn2NC(=O)c1cnc(-c2ccccn2)nc1C
InChIInChI=1S/C20H18N6O2/c1-12-11-26(16-7-8-17(28-3)24-18(12)16)25-20(27)14-10-22-19(23-13(14)2)15-6-4-5-9-21-15/h4-11H,1-3H3,(H,25,27)
InChIKeyQWZRDUVHMMGWFQ-UHFFFAOYSA-N
XLogP2.90
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 59200042) is N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide is COc1ccc2c(n1)c(C)cn2NC(=O)c1cnc(-c2ccccn2)nc1C.
What is the InChIKey of N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is QWZRDUVHMMGWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-11-26(16-7-8-17(28-3)24-18(12)16)25-20(27)14-10-22-19(23-13(14)2)15-6-4-5-9-21-15/h4-11H,1-3H3,(H,25,27).
What are the key properties of N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59200042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).