1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea

C19H20N4O3 — CID 166285787

IUPAC1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea
SMILESO=C(NCc1cccc(C2OCCO2)c1)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H20N4O3/c24-19(21-11-14-4-5-16-12-22-23-17(16)9-14)20-10-13-2-1-3-15(8-13)18-25-6-7-26-18/h1-5,8-9,12,18H,6-7,10-11H2,(H,22,23)(H2,20,21,24)
InChIKeyHKLJYTYANUDGGQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.61
Rot. Bonds5

About 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea

1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea (PubChem CID 166285787) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea.

Molecular Properties

Compound Name1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea
PubChem CID166285787
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea
SMILESO=C(NCc1cccc(C2OCCO2)c1)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H20N4O3/c24-19(21-11-14-4-5-16-12-22-23-17(16)9-14)20-10-13-2-1-3-15(8-13)18-25-6-7-26-18/h1-5,8-9,12,18H,6-7,10-11H2,(H,22,23)(H2,20,21,24)
InChIKeyHKLJYTYANUDGGQ-UHFFFAOYSA-N
XLogP2.61
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146142173
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
CID 126777380
4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
CID 120961737
2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid
CID 69415447
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-(1H-indazol-6-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114803
N-[2-(1H-indazol-6-yl)ethyl]cyclopentanecarboxamide
CID 155945475
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 124612429
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea?
The IUPAC name of 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea (CID 166285787) is 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea.
What is the SMILES notation for 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea?
The canonical SMILES for 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea is O=C(NCc1cccc(C2OCCO2)c1)NCc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea?
The InChIKey is HKLJYTYANUDGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(21-11-14-4-5-16-12-22-23-17(16)9-14)20-10-13-2-1-3-15(8-13)18-25-6-7-26-18/h1-5,8-9,12,18H,6-7,10-11H2,(H,22,23)(H2,20,21,24).
What are the key properties of 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea?
1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea has a molecular weight of 352.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea is sourced from PubChem (CID 166285787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).