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

C20H16N6O — CID 54765950

IUPAC1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
SMILESO=C(Nc1cccnc1)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C20H16N6O/c27-20(24-16-5-3-10-21-13-16)23-15-6-8-17-18(25-26-19(17)12-15)9-7-14-4-1-2-11-22-14/h1-13H,(H,25,26)(H2,23,24,27)/b9-7+
InChIKeyBPDMSWDUACIEIN-VQHVLOKHSA-N
MW356.39 g/mol
LogP4.17
Rot. Bonds4

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

1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea (PubChem CID 54765950) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
PubChem CID54765950
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
SMILESO=C(Nc1cccnc1)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C20H16N6O/c27-20(24-16-5-3-10-21-13-16)23-15-6-8-17-18(25-26-19(17)12-15)9-7-14-4-1-2-11-22-14/h1-13H,(H,25,26)(H2,23,24,27)/b9-7+
InChIKeyBPDMSWDUACIEIN-VQHVLOKHSA-N
XLogP4.17
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea?
The IUPAC name of 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea (CID 54765950) is 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea.
What is the SMILES notation for 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea?
The canonical SMILES for 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea is O=C(Nc1cccnc1)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea?
The InChIKey is BPDMSWDUACIEIN-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H16N6O/c27-20(24-16-5-3-10-21-13-16)23-15-6-8-17-18(25-26-19(17)12-15)9-7-14-4-1-2-11-22-14/h1-13H,(H,25,26)(H2,23,24,27)/b9-7+.
What are the key properties of 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea?
1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea has a molecular weight of 356.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea is sourced from PubChem (CID 54765950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).