1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea

C21H24N4O2 — CID 11588638

IUPAC1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1cccc2c1OCC[C@H]2NC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)15-7-4-6-13-17(10-11-27-19(13)15)24-20(26)23-16-8-5-9-18-14(16)12-22-25-18/h4-9,12,17H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)/t17-/m1/s1
InChIKeyFGVFFUSBPJFGCF-QGZVFWFLSA-N
MW364.45 g/mol
LogP4.51
Rot. Bonds2

About 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea

1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea (PubChem CID 11588638) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea
PubChem CID11588638
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1cccc2c1OCC[C@H]2NC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H24N4O2/c1-21(2,3)15-7-4-6-13-17(10-11-27-19(13)15)24-20(26)23-16-8-5-9-18-14(16)12-22-25-18/h4-9,12,17H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)/t17-/m1/s1
InChIKeyFGVFFUSBPJFGCF-QGZVFWFLSA-N
XLogP4.51
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea (CID 11588638) is 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea is CC(C)(C)c1cccc2c1OCC[C@H]2NC(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea?
The InChIKey is FGVFFUSBPJFGCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)15-7-4-6-13-17(10-11-27-19(13)15)24-20(26)23-16-8-5-9-18-14(16)12-22-25-18/h4-9,12,17H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)/t17-/m1/s1.
What are the key properties of 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea?
1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea has a molecular weight of 364.45 g/mol, XLogP of 4.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11588638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).