1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea

C22H27N5O3 — CID 70773787

IUPAC1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1nn(-c2ccc(OC)cc2)c2cccc(N3CCOCC3)c12
InChIInChI=1S/C22H27N5O3/c1-3-11-23-22(28)24-21-20-18(26-12-14-30-15-13-26)5-4-6-19(20)27(25-21)16-7-9-17(29-2)10-8-16/h4-10H,3,11-15H2,1-2H3,(H2,23,24,25,28)
InChIKeyZIJSBIVQFRACAX-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.40
Rot. Bonds6

About 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea

1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea (PubChem CID 70773787) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea
PubChem CID70773787
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1nn(-c2ccc(OC)cc2)c2cccc(N3CCOCC3)c12
InChIInChI=1S/C22H27N5O3/c1-3-11-23-22(28)24-21-20-18(26-12-14-30-15-13-26)5-4-6-19(20)27(25-21)16-7-9-17(29-2)10-8-16/h4-10H,3,11-15H2,1-2H3,(H2,23,24,25,28)
InChIKeyZIJSBIVQFRACAX-UHFFFAOYSA-N
XLogP3.40
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide
CID 95894266
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide
CID 70783861
2,4-dimethyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1,3-oxazole-5-carboxamide
CID 70706386
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide
CID 95880672
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
CID 175652884

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea?
The IUPAC name of 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea (CID 70773787) is 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea is CCCNC(=O)Nc1nn(-c2ccc(OC)cc2)c2cccc(N3CCOCC3)c12.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea?
The InChIKey is ZIJSBIVQFRACAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-3-11-23-22(28)24-21-20-18(26-12-14-30-15-13-26)5-4-6-19(20)27(25-21)16-7-9-17(29-2)10-8-16/h4-10H,3,11-15H2,1-2H3,(H2,23,24,25,28).
What are the key properties of 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea?
1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea has a molecular weight of 409.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea is sourced from PubChem (CID 70773787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).