1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea

C21H23N5O3 — CID 11696849

IUPAC1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2c1cccc2N1CCOCC1
InChIInChI=1S/C21H23N5O3/c27-21(23-16-4-2-5-18-15(16)13-22-25-18)24-17-7-10-29-20-14(17)3-1-6-19(20)26-8-11-28-12-9-26/h1-6,13,17H,7-12H2,(H,22,25)(H2,23,24,27)
InChIKeyDRKFVZNNQBSDBF-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.04
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea

1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea (PubChem CID 11696849) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea
PubChem CID11696849
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2c1cccc2N1CCOCC1
InChIInChI=1S/C21H23N5O3/c27-21(23-16-4-2-5-18-15(16)13-22-25-18)24-17-7-10-29-20-14(17)3-1-6-19(20)26-8-11-28-12-9-26/h1-6,13,17H,7-12H2,(H,22,25)(H2,23,24,27)
InChIKeyDRKFVZNNQBSDBF-UHFFFAOYSA-N
XLogP3.04
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(8-cyclohexylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11516653
1-(1H-indazol-4-yl)-3-(8-(trifluoromethyl)chroman-4-yl)urea
CID 11603236
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
1-(7-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11646277
1-(8-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11653471
1-(1H-indazol-4-yl)-3-(7-(trifluoromethoxy)chroman-4-yl)urea
CID 11654024
1-(1H-indazol-4-yl)-3-(8-(trifluoromethoxy)chroman-4-yl)urea
CID 11668297
1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11669102
1-(1-(cyclohexylmethyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11711740
1-(1H-indazol-4-yl)-3-(8-(piperidin-1-yl)chroman-4-yl)urea
CID 11718098
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
CID 25264622
1-(1H-indazol-4-yl)-3-(7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl)urea
CID 44444918

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea (CID 11696849) is 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCOc2c1cccc2N1CCOCC1.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea?
The InChIKey is DRKFVZNNQBSDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-21(23-16-4-2-5-18-15(16)13-22-25-18)24-17-7-10-29-20-14(17)3-1-6-19(20)26-8-11-28-12-9-26/h1-6,13,17H,7-12H2,(H,22,25)(H2,23,24,27).
What are the key properties of 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea?
1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea has a molecular weight of 393.45 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-(8-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)urea is sourced from PubChem (CID 11696849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).