N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C18H16N6 — CID 147855692

IUPACN-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C18H16N6/c1-2-24-15-10-12(7-8-13(15)16(23-24)11-5-6-11)20-18-17-14(21-22-18)4-3-9-19-17/h2-4,7-11H,1,5-6H2,(H2,20,21,22)
InChIKeyHVRQEPRKKJWGIA-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.03
Rot. Bonds4

About N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 147855692) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID147855692
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC NameN-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C18H16N6/c1-2-24-15-10-12(7-8-13(15)16(23-24)11-5-6-11)20-18-17-14(21-22-18)4-3-9-19-17/h2-4,7-11H,1,5-6H2,(H2,20,21,22)
InChIKeyHVRQEPRKKJWGIA-UHFFFAOYSA-N
XLogP4.03
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 147855692) is N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is C=Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is HVRQEPRKKJWGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-2-24-15-10-12(7-8-13(15)16(23-24)11-5-6-11)20-18-17-14(21-22-18)4-3-9-19-17/h2-4,7-11H,1,5-6H2,(H2,20,21,22).
What are the key properties of N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 316.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 147855692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).