6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C20H18N8O2 — CID 165415009

IUPAC6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCc1ccc(Nc2cncnc2)c(C(=O)Nc2ccnn2-c2ccccn2)n1
InChIInChI=1S/C20H18N8O2/c1-30-12-14-5-6-16(25-15-10-21-13-22-11-15)19(26-14)20(29)27-18-7-9-24-28(18)17-4-2-3-8-23-17/h2-11,13,25H,12H2,1H3,(H,27,29)
InChIKeyMRSNQZVQQSHMGR-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.59
Rot. Bonds7

About 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415009) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415009
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCc1ccc(Nc2cncnc2)c(C(=O)Nc2ccnn2-c2ccccn2)n1
InChIInChI=1S/C20H18N8O2/c1-30-12-14-5-6-16(25-15-10-21-13-22-11-15)19(26-14)20(29)27-18-7-9-24-28(18)17-4-2-3-8-23-17/h2-11,13,25H,12H2,1H3,(H,27,29)
InChIKeyMRSNQZVQQSHMGR-UHFFFAOYSA-N
XLogP2.59
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415009) is 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is COCc1ccc(Nc2cncnc2)c(C(=O)Nc2ccnn2-c2ccccn2)n1.
What is the InChIKey of 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is MRSNQZVQQSHMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c1-30-12-14-5-6-16(25-15-10-21-13-22-11-15)19(26-14)20(29)27-18-7-9-24-28(18)17-4-2-3-8-23-17/h2-11,13,25H,12H2,1H3,(H,27,29).
What are the key properties of 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).