1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea

C25H19FN6O2 — CID 135277970

IUPAC1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc2c(NC(=O)Nc3cc(F)cc4[nH]ncc34)cccc2c1
InChIInChI=1S/C25H19FN6O2/c26-16-12-22(20-14-27-32-23(20)13-16)31-25(34)30-21-8-4-5-15-11-18(9-10-19(15)21)29-24(33)28-17-6-2-1-3-7-17/h1-14H,(H,27,32)(H2,28,29,33)(H2,30,31,34)
InChIKeyVKTYCHWCDVQKEP-UHFFFAOYSA-N
MW454.47 g/mol
LogP6.14
Rot. Bonds4

About 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea

1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea (PubChem CID 135277970) has the molecular formula C25H19FN6O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea
PubChem CID135277970
Molecular FormulaC25H19FN6O2
Molecular Weight454.47 g/mol
Exact Mass454.16
IUPAC Name1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc2c(NC(=O)Nc3cc(F)cc4[nH]ncc34)cccc2c1
InChIInChI=1S/C25H19FN6O2/c26-16-12-22(20-14-27-32-23(20)13-16)31-25(34)30-21-8-4-5-15-11-18(9-10-19(15)21)29-24(33)28-17-6-2-1-3-7-17/h1-14H,(H,27,32)(H2,28,29,33)(H2,30,31,34)
InChIKeyVKTYCHWCDVQKEP-UHFFFAOYSA-N
XLogP6.14
TPSA110.94 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.47
LogP ≤ 56.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(1H-pyrazolo[3,4-c]pyridin-4-yl)urea
CID 70158064
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 91060621
1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69013613
6-fluoro-1H-indazole-4-carboxylic acid
CID 24728354
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid
CID 141201305
3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
CID 130664762
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
6-(1H-indazol-4-ylamino)-6-oxohexanoic acid
CID 54866853
2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide
CID 60933063

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea?
The IUPAC name of 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea (CID 135277970) is 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea.
What is the SMILES notation for 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea?
The canonical SMILES for 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea is O=C(Nc1ccccc1)Nc1ccc2c(NC(=O)Nc3cc(F)cc4[nH]ncc34)cccc2c1.
What is the InChIKey of 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea?
The InChIKey is VKTYCHWCDVQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2/c26-16-12-22(20-14-27-32-23(20)13-16)31-25(34)30-21-8-4-5-15-11-18(9-10-19(15)21)29-24(33)28-17-6-2-1-3-7-17/h1-14H,(H,27,32)(H2,28,29,33)(H2,30,31,34).
What are the key properties of 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea?
1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea has a molecular weight of 454.47 g/mol, XLogP of 6.14, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indazol-4-yl)-3-[6-(phenylcarbamoylamino)naphthalen-1-yl]urea is sourced from PubChem (CID 135277970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).