1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea

C21H19N5O2 — CID 90879086

IUPAC1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
SMILESCc1cc(Oc2ccc(NC(=O)Nc3ccc4c(cnn4C)c3)cc2)ccn1
InChIInChI=1S/C21H19N5O2/c1-14-11-19(9-10-22-14)28-18-6-3-16(4-7-18)24-21(27)25-17-5-8-20-15(12-17)13-23-26(20)2/h3-13H,1-2H3,(H2,24,25,27)
InChIKeyVHPMAOSBPMCIJV-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.71
Rot. Bonds4

About 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea

1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea (PubChem CID 90879086) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
PubChem CID90879086
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
SMILESCc1cc(Oc2ccc(NC(=O)Nc3ccc4c(cnn4C)c3)cc2)ccn1
InChIInChI=1S/C21H19N5O2/c1-14-11-19(9-10-22-14)28-18-6-3-16(4-7-18)24-21(27)25-17-5-8-20-15(12-17)13-23-26(20)2/h3-13H,1-2H3,(H2,24,25,27)
InChIKeyVHPMAOSBPMCIJV-UHFFFAOYSA-N
XLogP4.71
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[2-(dihydroxymethyl)-4-pyridinyl]oxy]phenyl]-3-(1-methylindazol-5-yl)urea
CID 123235839
1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(1-methylindazol-5-yl)urea;N-methyl-4-[4-[(2-methyl-1H-indol-5-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 158679245
1-[4-[(2-cyano-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]-3-(1-methylindazol-5-yl)urea
CID 10049516
N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
CID 59987441
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
CID 157044209
1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 69240065
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
CID 58659449
1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine
CID 161167639
N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
CID 72893991
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea
CID 118761819
6-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044292

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea?
The IUPAC name of 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea (CID 90879086) is 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea.
What is the SMILES notation for 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea?
The canonical SMILES for 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea is Cc1cc(Oc2ccc(NC(=O)Nc3ccc4c(cnn4C)c3)cc2)ccn1.
What is the InChIKey of 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea?
The InChIKey is VHPMAOSBPMCIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-11-19(9-10-22-14)28-18-6-3-16(4-7-18)24-21(27)25-17-5-8-20-15(12-17)13-23-26(20)2/h3-13H,1-2H3,(H2,24,25,27).
What are the key properties of 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea?
1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea has a molecular weight of 373.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea is sourced from PubChem (CID 90879086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).