N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine

C16H16N4 — CID 62294641

IUPACN-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
SMILESc1cnc(-n2ncc3ccccc32)c(CNC2CC2)c1
InChIInChI=1S/C16H16N4/c1-2-6-15-12(4-1)11-19-20(15)16-13(5-3-9-17-16)10-18-14-7-8-14/h1-6,9,11,14,18H,7-8,10H2
InChIKeyZXERDDBJAPTXPZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.67
Rot. Bonds4

About N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine

N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 62294641) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
PubChem CID62294641
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
SMILESc1cnc(-n2ncc3ccccc32)c(CNC2CC2)c1
InChIInChI=1S/C16H16N4/c1-2-6-15-12(4-1)11-19-20(15)16-13(5-3-9-17-16)10-18-14-7-8-14/h1-6,9,11,14,18H,7-8,10H2
InChIKeyZXERDDBJAPTXPZ-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine
CID 62141701
(2-indazol-1-yl-3-pyridinyl)methanol
CID 62140582
N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294643
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62294591
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 82752978
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62282985
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79164505
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464

Frequently Asked Questions

What is the IUPAC name of N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine (CID 62294641) is N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine is c1cnc(-n2ncc3ccccc32)c(CNC2CC2)c1.
What is the InChIKey of N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is ZXERDDBJAPTXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-15-12(4-1)11-19-20(15)16-13(5-3-9-17-16)10-18-14-7-8-14/h1-6,9,11,14,18H,7-8,10H2.
What are the key properties of N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine?
N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 264.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 62294641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).