1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide

C21H22N6O4 — CID 90402625

IUPAC1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
SMILESCOC1(C(=O)NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)CC1
InChIInChI=1S/C21H22N6O4/c1-13-17(31-15-6-9-22-16(10-15)14-11-23-27(2)12-14)4-5-18(24-13)25-20(29)26-19(28)21(30-3)7-8-21/h4-6,9-12H,7-8H2,1-3H3,(H2,24,25,26,28,29)
InChIKeyIYPXGGXWYCGJCN-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.80
Rot. Bonds6

About 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide

1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide (PubChem CID 90402625) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
PubChem CID90402625
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
SMILESCOC1(C(=O)NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)CC1
InChIInChI=1S/C21H22N6O4/c1-13-17(31-15-6-9-22-16(10-15)14-11-23-27(2)12-14)4-5-18(24-13)25-20(29)26-19(28)21(30-3)7-8-21/h4-6,9-12H,7-8H2,1-3H3,(H2,24,25,26,28,29)
InChIKeyIYPXGGXWYCGJCN-UHFFFAOYSA-N
XLogP2.80
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-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 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide (CID 90402625) is 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide is COC1(C(=O)NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)CC1.
What is the InChIKey of 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The InChIKey is IYPXGGXWYCGJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-13-17(31-15-6-9-22-16(10-15)14-11-23-27(2)12-14)4-5-18(24-13)25-20(29)26-19(28)21(30-3)7-8-21/h4-6,9-12H,7-8H2,1-3H3,(H2,24,25,26,28,29).
What are the key properties of 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90402625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).