1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea

C19H19FN4O2 — CID 25264617

IUPAC1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
SMILESCC1(C)C[C@@H](NC(=O)Nc2cccc3[nH]ncc23)c2cc(F)ccc2O1
InChIInChI=1S/C19H19FN4O2/c1-19(2)9-16(12-8-11(20)6-7-17(12)26-19)23-18(25)22-14-4-3-5-15-13(14)10-21-24-15/h3-8,10,16H,9H2,1-2H3,(H,21,24)(H2,22,23,25)/t16-/m1/s1
InChIKeyPXZGQWJZHHPJHS-MRXNPFEDSA-N
MW354.39 g/mol
LogP4.13
Rot. Bonds2

About 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea

1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea (PubChem CID 25264617) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
PubChem CID25264617
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
SMILESCC1(C)C[C@@H](NC(=O)Nc2cccc3[nH]ncc23)c2cc(F)ccc2O1
InChIInChI=1S/C19H19FN4O2/c1-19(2)9-16(12-8-11(20)6-7-17(12)26-19)23-18(25)22-14-4-3-5-15-13(14)10-21-24-15/h3-8,10,16H,9H2,1-2H3,(H,21,24)(H2,22,23,25)/t16-/m1/s1
InChIKeyPXZGQWJZHHPJHS-MRXNPFEDSA-N
XLogP4.13
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea (CID 25264617) is 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea is CC1(C)C[C@@H](NC(=O)Nc2cccc3[nH]ncc23)c2cc(F)ccc2O1.
What is the InChIKey of 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea?
The InChIKey is PXZGQWJZHHPJHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-19(2)9-16(12-8-11(20)6-7-17(12)26-19)23-18(25)22-14-4-3-5-15-13(14)10-21-24-15/h3-8,10,16H,9H2,1-2H3,(H,21,24)(H2,22,23,25)/t16-/m1/s1.
What are the key properties of 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea?
1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea has a molecular weight of 354.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 25264617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).