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

C21H22N6O3 — CID 90403664

IUPAC1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
SMILESCc1nc(NC(=O)NC(=O)C2(C)CC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C21H22N6O3/c1-13-17(30-15-6-9-22-16(10-15)14-11-23-27(3)12-14)4-5-18(24-13)25-20(29)26-19(28)21(2)7-8-21/h4-6,9-12H,7-8H2,1-3H3,(H2,24,25,26,28,29)
InChIKeyPPOKAKSETFBBEQ-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.43
Rot. Bonds5

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

1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide (PubChem CID 90403664) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
PubChem CID90403664
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
SMILESCc1nc(NC(=O)NC(=O)C2(C)CC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C21H22N6O3/c1-13-17(30-15-6-9-22-16(10-15)14-11-23-27(3)12-14)4-5-18(24-13)25-20(29)26-19(28)21(2)7-8-21/h4-6,9-12H,7-8H2,1-3H3,(H2,24,25,26,28,29)
InChIKeyPPOKAKSETFBBEQ-UHFFFAOYSA-N
XLogP3.43
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Vimseltinib
CID 86267612
Ly-3200882
CID 121249291
Pimicotinib
CID 139549388
2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
CID 86270079
N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
CID 146267978
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25138080
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 25138081
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]propanamide
CID 25138082
methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
CID 25138083
ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
CID 25138084
2-(4-fluorophenyl)-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 46208889

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide (CID 90403664) is 1-methyl-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-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide is Cc1nc(NC(=O)NC(=O)C2(C)CC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
The InChIKey is PPOKAKSETFBBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-13-17(30-15-6-9-22-16(10-15)14-11-23-27(3)12-14)4-5-18(24-13)25-20(29)26-19(28)21(2)7-8-21/h4-6,9-12H,7-8H2,1-3H3,(H2,24,25,26,28,29).
What are the key properties of 1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide?
1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90403664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).