1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea

C21H23N5O — CID 54766879

IUPAC1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea
SMILESO=C(Nc1ccc2c(/C=C/c3cccnc3)n[nH]c2c1)NC1CCCCC1
InChIInChI=1S/C21H23N5O/c27-21(23-16-6-2-1-3-7-16)24-17-9-10-18-19(25-26-20(18)13-17)11-8-15-5-4-12-22-14-15/h4-5,8-14,16H,1-3,6-7H2,(H,25,26)(H2,23,24,27)/b11-8+
InChIKeyKCUHUNIBGGOYPO-DHZHZOJOSA-N
MW361.45 g/mol
LogP4.58
Rot. Bonds4

About 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea

1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea (PubChem CID 54766879) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea
PubChem CID54766879
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea
SMILESO=C(Nc1ccc2c(/C=C/c3cccnc3)n[nH]c2c1)NC1CCCCC1
InChIInChI=1S/C21H23N5O/c27-21(23-16-6-2-1-3-7-16)24-17-9-10-18-19(25-26-20(18)13-17)11-8-15-5-4-12-22-14-15/h4-5,8-14,16H,1-3,6-7H2,(H,25,26)(H2,23,24,27)/b11-8+
InChIKeyKCUHUNIBGGOYPO-DHZHZOJOSA-N
XLogP4.58
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea (CID 54766879) is 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea is O=C(Nc1ccc2c(/C=C/c3cccnc3)n[nH]c2c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea?
The InChIKey is KCUHUNIBGGOYPO-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(23-16-6-2-1-3-7-16)24-17-9-10-18-19(25-26-20(18)13-17)11-8-15-5-4-12-22-14-15/h4-5,8-14,16H,1-3,6-7H2,(H,25,26)(H2,23,24,27)/b11-8+.
What are the key properties of 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea?
1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea has a molecular weight of 361.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea is sourced from PubChem (CID 54766879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).