1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

C20H22N6O2 — CID 166256153

IUPAC1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESO=C(NCc1cnn(CC2CCC2)c1)Nc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C20H22N6O2/c27-20(23-9-16-10-24-26(14-16)13-15-3-1-4-15)25-17-6-7-19(22-11-17)28-18-5-2-8-21-12-18/h2,5-8,10-12,14-15H,1,3-4,9,13H2,(H2,23,25,27)
InChIKeyPMBWETOYGXKOQS-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.59
Rot. Bonds7

About 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (PubChem CID 166256153) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
PubChem CID166256153
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESO=C(NCc1cnn(CC2CCC2)c1)Nc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C20H22N6O2/c27-20(23-9-16-10-24-26(14-16)13-15-3-1-4-15)25-17-6-7-19(22-11-17)28-18-5-2-8-21-12-18/h2,5-8,10-12,14-15H,1,3-4,9,13H2,(H2,23,25,27)
InChIKeyPMBWETOYGXKOQS-UHFFFAOYSA-N
XLogP3.59
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[6-(3-bromophenoxy)-3-pyridinyl]-3-(pyridin-3-ylmethyl)urea
CID 52836877
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 166188155
(2S,3S)-N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-2-pyridin-3-yloxolane-3-carboxamide
CID 136587140
1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 167894017
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 122159516
5-[[1-(cyclobutylmethyl)pyrazol-4-yl]methylamino]-2-fluorobenzoic acid
CID 166257992
1-[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610981
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (CID 166256153) is 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is O=C(NCc1cnn(CC2CCC2)c1)Nc1ccc(Oc2cccnc2)nc1.
What is the InChIKey of 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The InChIKey is PMBWETOYGXKOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-20(23-9-16-10-24-26(14-16)13-15-3-1-4-15)25-17-6-7-19(22-11-17)28-18-5-2-8-21-12-18/h2,5-8,10-12,14-15H,1,3-4,9,13H2,(H2,23,25,27).
What are the key properties of 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea has a molecular weight of 378.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 166256153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).