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

C20H18N6O3 — CID 71134126

IUPAC(4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate
SMILESCOc1ccc2c(n1)c(C)cn2NC(=O)Oc1cnc(-c2ccccn2)nc1C
InChIInChI=1S/C20H18N6O3/c1-12-11-26(15-7-8-17(28-3)24-18(12)15)25-20(27)29-16-10-22-19(23-13(16)2)14-6-4-5-9-21-14/h4-11H,1-3H3,(H,25,27)
InChIKeyAHEJTLJIUGMZMO-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.26
Rot. Bonds4

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

(4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate (PubChem CID 71134126) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate.

Molecular Properties

Compound Name(4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate
PubChem CID71134126
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name(4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate
SMILESCOc1ccc2c(n1)c(C)cn2NC(=O)Oc1cnc(-c2ccccn2)nc1C
InChIInChI=1S/C20H18N6O3/c1-12-11-26(15-7-8-17(28-3)24-18(12)15)25-20(27)29-16-10-22-19(23-13(16)2)14-6-4-5-9-21-14/h4-11H,1-3H3,(H,25,27)
InChIKeyAHEJTLJIUGMZMO-UHFFFAOYSA-N
XLogP3.26
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate
CID 71134324
[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate
CID 71134337
[2-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrimidin-5-yl] N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)carbamate
CID 71134034
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate
CID 71134305
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134327
(2-pyridin-2-ylpyrimidin-5-yl) N-(5-fluoro-2-methylindol-1-yl)carbamate
CID 71134297
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate
CID 71134102
N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59200027
[2-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrimidin-5-yl] N-[3-(difluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134291
[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134262
5-methoxy-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
CID 1470848

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate?
The IUPAC name of (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate (CID 71134126) is (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate.
What is the SMILES notation for (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate?
The canonical SMILES for (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate is COc1ccc2c(n1)c(C)cn2NC(=O)Oc1cnc(-c2ccccn2)nc1C.
What is the InChIKey of (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate?
The InChIKey is AHEJTLJIUGMZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-12-11-26(15-7-8-17(28-3)24-18(12)15)25-20(27)29-16-10-22-19(23-13(16)2)14-6-4-5-9-21-14/h4-11H,1-3H3,(H,25,27).
What are the key properties of (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate?
(4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate has a molecular weight of 390.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate is sourced from PubChem (CID 71134126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).