4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline

C15H14N4 — CID 112557991

IUPAC4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline
SMILESNc1ccc(C2(c3nc4ccncc4[nH]3)CC2)cc1
InChIInChI=1S/C15H14N4/c16-11-3-1-10(2-4-11)15(6-7-15)14-18-12-5-8-17-9-13(12)19-14/h1-5,8-9H,6-7,16H2,(H,18,19)
InChIKeyBWKKOGHLXIAVMF-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.62
Rot. Bonds2

About 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline

4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline (PubChem CID 112557991) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline
PubChem CID112557991
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline
SMILESNc1ccc(C2(c3nc4ccncc4[nH]3)CC2)cc1
InChIInChI=1S/C15H14N4/c16-11-3-1-10(2-4-11)15(6-7-15)14-18-12-5-8-17-9-13(12)19-14/h1-5,8-9H,6-7,16H2,(H,18,19)
InChIKeyBWKKOGHLXIAVMF-UHFFFAOYSA-N
XLogP2.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline?
The IUPAC name of 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline (CID 112557991) is 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline.
What is the SMILES notation for 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline?
The canonical SMILES for 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline is Nc1ccc(C2(c3nc4ccncc4[nH]3)CC2)cc1.
What is the InChIKey of 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline?
The InChIKey is BWKKOGHLXIAVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-11-3-1-10(2-4-11)15(6-7-15)14-18-12-5-8-17-9-13(12)19-14/h1-5,8-9H,6-7,16H2,(H,18,19).
What are the key properties of 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline?
4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline has a molecular weight of 250.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline is sourced from PubChem (CID 112557991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).