N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C18H20N6 — CID 134198120

IUPACN-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1c2cc(Nc3n[nH]c4cccnc34)ccc2nn1C(C)(C)C
InChIInChI=1S/C18H20N6/c1-11-13-10-12(7-8-14(13)23-24(11)18(2,3)4)20-17-16-15(21-22-17)6-5-9-19-16/h5-10H,1-4H3,(H2,20,21,22)
InChIKeyCUYPGFBXKXHMPH-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.11
Rot. Bonds2

About N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134198120) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134198120
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1c2cc(Nc3n[nH]c4cccnc34)ccc2nn1C(C)(C)C
InChIInChI=1S/C18H20N6/c1-11-13-10-12(7-8-14(13)23-24(11)18(2,3)4)20-17-16-15(21-22-17)6-5-9-19-16/h5-10H,1-4H3,(H2,20,21,22)
InChIKeyCUYPGFBXKXHMPH-UHFFFAOYSA-N
XLogP4.11
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134198120) is N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Cc1c2cc(Nc3n[nH]c4cccnc34)ccc2nn1C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is CUYPGFBXKXHMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-11-13-10-12(7-8-14(13)23-24(11)18(2,3)4)20-17-16-15(21-22-17)6-5-9-19-16/h5-10H,1-4H3,(H2,20,21,22).
What are the key properties of N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 320.40 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134198120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).