1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea

C20H21FN4O2 — CID 45380559

IUPAC1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cccc21
InChIInChI=1S/C20H21FN4O2/c1-20(2)10-16(13-8-7-12(21)9-18(13)27-20)24-19(26)23-15-5-4-6-17-14(15)11-22-25(17)3/h4-9,11,16H,10H2,1-3H3,(H2,23,24,26)/t16-/m1/s1
InChIKeyKDYCVYMESWOYDY-MRXNPFEDSA-N
MW368.41 g/mol
LogP4.14
Rot. Bonds2

About 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea

1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea (PubChem CID 45380559) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea
PubChem CID45380559
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cccc21
InChIInChI=1S/C20H21FN4O2/c1-20(2)10-16(13-8-7-12(21)9-18(13)27-20)24-19(26)23-15-5-4-6-17-14(15)11-22-25(17)3/h4-9,11,16H,10H2,1-3H3,(H2,23,24,26)/t16-/m1/s1
InChIKeyKDYCVYMESWOYDY-MRXNPFEDSA-N
XLogP4.14
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea with MolForge

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Related Compounds

3-(1-methyl-1H-indazol-4-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11405844
1-(4-Phenoxy-benzyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11396908
1-[2-(4-Phenoxy-phenyl)-ethyl]-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11454184
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-(1H-indazol-4-yl)-3-(8-morpholinochroman-4-yl)urea
CID 11696849

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea?
The IUPAC name of 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea (CID 45380559) is 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea.
What is the SMILES notation for 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea?
The canonical SMILES for 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea is Cn1ncc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cccc21.
What is the InChIKey of 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea?
The InChIKey is KDYCVYMESWOYDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-20(2)10-16(13-8-7-12(21)9-18(13)27-20)24-19(26)23-15-5-4-6-17-14(15)11-22-25(17)3/h4-9,11,16H,10H2,1-3H3,(H2,23,24,26)/t16-/m1/s1.
What are the key properties of 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea?
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea has a molecular weight of 368.41 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1-methylindazol-4-yl)urea is sourced from PubChem (CID 45380559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).