1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea

C20H23N5O2 — CID 69240065

IUPAC1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCn1ncc2cc(NC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc21
InChIInChI=1S/C20H23N5O2/c1-24-19-7-6-18(12-16(19)13-21-24)23-20(26)22-17-4-2-15(3-5-17)14-25-8-10-27-11-9-25/h2-7,12-13H,8-11,14H2,1H3,(H2,22,23,26)
InChIKeyIYQRIUDYNWXIGO-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.05
Rot. Bonds4

About 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea

1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 69240065) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID69240065
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCn1ncc2cc(NC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc21
InChIInChI=1S/C20H23N5O2/c1-24-19-7-6-18(12-16(19)13-21-24)23-20(26)22-17-4-2-15(3-5-17)14-25-8-10-27-11-9-25/h2-7,12-13H,8-11,14H2,1H3,(H2,22,23,26)
InChIKeyIYQRIUDYNWXIGO-UHFFFAOYSA-N
XLogP3.05
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide
CID 50973924
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 11718559
1-methyl-5-[(4-methylpiperazin-1-yl)methyl]indazole
CID 145145756
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917104
1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 72868222
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea (CID 69240065) is 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea is Cn1ncc2cc(NC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc21.
What is the InChIKey of 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is IYQRIUDYNWXIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-19-7-6-18(12-16(19)13-21-24)23-20(26)22-17-4-2-15(3-5-17)14-25-8-10-27-11-9-25/h2-7,12-13H,8-11,14H2,1H3,(H2,22,23,26).
What are the key properties of 1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 365.44 g/mol, XLogP of 3.05, 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-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 69240065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).