N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide

C19H16N4O — CID 44540492

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)C1CC1
InChIInChI=1S/C19H16N4O/c24-19(11-4-5-11)22-17-8-12(9-18-15(17)10-21-23-18)13-2-1-3-16-14(13)6-7-20-16/h1-3,6-11,20H,4-5H2,(H,21,23)(H,22,24)
InChIKeyNREOZWPOBWZLGL-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.06
Rot. Bonds3

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide (PubChem CID 44540492) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide
PubChem CID44540492
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)C1CC1
InChIInChI=1S/C19H16N4O/c24-19(11-4-5-11)22-17-8-12(9-18-15(17)10-21-23-18)13-2-1-3-16-14(13)6-7-20-16/h1-3,6-11,20H,4-5H2,(H,21,23)(H,22,24)
InChIKeyNREOZWPOBWZLGL-UHFFFAOYSA-N
XLogP4.06
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide (CID 44540492) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)C1CC1.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide?
The InChIKey is NREOZWPOBWZLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(11-4-5-11)22-17-8-12(9-18-15(17)10-21-23-18)13-2-1-3-16-14(13)6-7-20-16/h1-3,6-11,20H,4-5H2,(H,21,23)(H,22,24).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide has a molecular weight of 316.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44540492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).