(2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C24H18N4O — CID 58486267

IUPAC(2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccncc3)n[nH]c2c1
InChIInChI=1S/C24H18N4O/c29-23-24(18-3-1-2-4-21(18)26-23)14-19(24)16-6-7-17-20(27-28-22(17)13-16)8-5-15-9-11-25-12-10-15/h1-13,19H,14H2,(H,26,29)(H,27,28)/b8-5+/t19-,24-/m0/s1
InChIKeyBUMGKNPRCXMAGM-FVOFJUMPSA-N
MW378.44 g/mol
LogP4.51
Rot. Bonds3

About (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 58486267) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID58486267
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name(2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccncc3)n[nH]c2c1
InChIInChI=1S/C24H18N4O/c29-23-24(18-3-1-2-4-21(18)26-23)14-19(24)16-6-7-17-20(27-28-22(17)13-16)8-5-15-9-11-25-12-10-15/h1-13,19H,14H2,(H,26,29)(H,27,28)/b8-5+/t19-,24-/m0/s1
InChIKeyBUMGKNPRCXMAGM-FVOFJUMPSA-N
XLogP4.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 58486267) is (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccncc3)n[nH]c2c1.
What is the InChIKey of (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is BUMGKNPRCXMAGM-FVOFJUMPSA-N. The full InChI is InChI=1S/C24H18N4O/c29-23-24(18-3-1-2-4-21(18)26-23)14-19(24)16-6-7-17-20(27-28-22(17)13-16)8-5-15-9-11-25-12-10-15/h1-13,19H,14H2,(H,26,29)(H,27,28)/b8-5+/t19-,24-/m0/s1.
What are the key properties of (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 378.44 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 58486267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).