3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine

C20H21N5 — CID 134192103

IUPAC3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine
SMILESCC(C)n1nc(C2CC2)c2ccc(Nc3n[nH]c4ccccc34)cc21
InChIInChI=1S/C20H21N5/c1-12(2)25-18-11-14(9-10-16(18)19(24-25)13-7-8-13)21-20-15-5-3-4-6-17(15)22-23-20/h3-6,9-13H,7-8H2,1-2H3,(H2,21,22,23)
InChIKeyDDIIBQBMVLZVTQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.11
Rot. Bonds4

About 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine

3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine (PubChem CID 134192103) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine
PubChem CID134192103
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine
SMILESCC(C)n1nc(C2CC2)c2ccc(Nc3n[nH]c4ccccc34)cc21
InChIInChI=1S/C20H21N5/c1-12(2)25-18-11-14(9-10-16(18)19(24-25)13-7-8-13)21-20-15-5-3-4-6-17(15)22-23-20/h3-6,9-13H,7-8H2,1-2H3,(H2,21,22,23)
InChIKeyDDIIBQBMVLZVTQ-UHFFFAOYSA-N
XLogP5.11
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine?
The IUPAC name of 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine (CID 134192103) is 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine?
The canonical SMILES for 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine is CC(C)n1nc(C2CC2)c2ccc(Nc3n[nH]c4ccccc34)cc21.
What is the InChIKey of 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine?
The InChIKey is DDIIBQBMVLZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-12(2)25-18-11-14(9-10-16(18)19(24-25)13-7-8-13)21-20-15-5-3-4-6-17(15)22-23-20/h3-6,9-13H,7-8H2,1-2H3,(H2,21,22,23).
What are the key properties of 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine?
3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine has a molecular weight of 331.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine is sourced from PubChem (CID 134192103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).