azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride

C13H22Cl2N6 — CID 67182312

IUPACazane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride
SMILESCl.Cl.N.NC1(CCCn2ccnc2)C=C2C=CC=CN2N1
InChIInChI=1S/C13H17N5.2ClH.H3N/c14-13(5-3-7-17-9-6-15-11-17)10-12-4-1-2-8-18(12)16-13;;;/h1-2,4,6,8-11,16H,3,5,7,14H2;2*1H;1H3
InChIKeyGJVMMFQPUNQOLT-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.11
Rot. Bonds4

About azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride

azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride (PubChem CID 67182312) has the molecular formula C13H22Cl2N6 and a molecular weight of 333.27 g/mol. Its IUPAC name is azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Nameazane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride
PubChem CID67182312
Molecular FormulaC13H22Cl2N6
Molecular Weight333.27 g/mol
Exact Mass332.13
IUPAC Nameazane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride
SMILESCl.Cl.N.NC1(CCCn2ccnc2)C=C2C=CC=CN2N1
InChIInChI=1S/C13H17N5.2ClH.H3N/c14-13(5-3-7-17-9-6-15-11-17)10-12-4-1-2-8-18(12)16-13;;;/h1-2,4,6,8-11,16H,3,5,7,14H2;2*1H;1H3
InChIKeyGJVMMFQPUNQOLT-UHFFFAOYSA-N
XLogP2.11
TPSA94.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride?
The IUPAC name of azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride (CID 67182312) is azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride.
What is the SMILES notation for azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride?
The canonical SMILES for azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride is Cl.Cl.N.NC1(CCCn2ccnc2)C=C2C=CC=CN2N1.
What is the InChIKey of azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride?
The InChIKey is GJVMMFQPUNQOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.2ClH.H3N/c14-13(5-3-7-17-9-6-15-11-17)10-12-4-1-2-8-18(12)16-13;;;/h1-2,4,6,8-11,16H,3,5,7,14H2;2*1H;1H3.
What are the key properties of azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride?
azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride has a molecular weight of 333.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(3-imidazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 67182312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).