3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole

C23H18N6 — CID 137087155

IUPAC3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole
SMILESC/C=C(\c1c[nH]c(-c2n[nH]c3ccc(-c4cncnc4)cc23)c1)c1ccccn1
InChIInChI=1S/C23H18N6/c1-2-18(20-5-3-4-8-26-20)16-10-22(27-13-16)23-19-9-15(6-7-21(19)28-29-23)17-11-24-14-25-12-17/h2-14,27H,1H3,(H,28,29)/b18-2+
InChIKeyCNYZYFVIKBZKGB-LPRJTOQXSA-N
MW378.44 g/mol
LogP4.86
Rot. Bonds4

About 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole

3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole (PubChem CID 137087155) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole
PubChem CID137087155
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole
SMILESC/C=C(\c1c[nH]c(-c2n[nH]c3ccc(-c4cncnc4)cc23)c1)c1ccccn1
InChIInChI=1S/C23H18N6/c1-2-18(20-5-3-4-8-26-20)16-10-22(27-13-16)23-19-9-15(6-7-21(19)28-29-23)17-11-24-14-25-12-17/h2-14,27H,1H3,(H,28,29)/b18-2+
InChIKeyCNYZYFVIKBZKGB-LPRJTOQXSA-N
XLogP4.86
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137086923
3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
CID 137087926
1-[5-[(E)-1-[5-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrol-3-yl]prop-1-enyl]thiophen-2-yl]ethanone
CID 137086937
3-[(1Z)-1-pyridin-3-ylpenta-1,3-dienyl]-5-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-pyrrol-2-amine
CID 145253765
1-[5-[(E)-1-[5-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrol-3-yl]prop-1-enyl]thiophen-2-yl]ethanone
CID 137086941
3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole
CID 71053321
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137114151
2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116367
2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137038228
1-[5-[3-[4-[(E)-1-(2-fluorophenyl)prop-1-enyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137033174
5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-ol
CID 137115267
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole?
The IUPAC name of 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole (CID 137087155) is 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole.
What is the SMILES notation for 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole?
The canonical SMILES for 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole is C/C=C(\c1c[nH]c(-c2n[nH]c3ccc(-c4cncnc4)cc23)c1)c1ccccn1.
What is the InChIKey of 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole?
The InChIKey is CNYZYFVIKBZKGB-LPRJTOQXSA-N. The full InChI is InChI=1S/C23H18N6/c1-2-18(20-5-3-4-8-26-20)16-10-22(27-13-16)23-19-9-15(6-7-21(19)28-29-23)17-11-24-14-25-12-17/h2-14,27H,1H3,(H,28,29)/b18-2+.
What are the key properties of 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole?
3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole has a molecular weight of 378.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-1-pyridin-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-5-pyrimidin-5-yl-1H-indazole is sourced from PubChem (CID 137087155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).