N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C22H20N6 — CID 71526655

IUPACN-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESc1ccc2c(c1)cnn2CCCc1ccc(Nc2n[nH]c3cccnc23)cc1
InChIInChI=1S/C22H20N6/c1-2-8-20-17(6-1)15-24-28(20)14-4-5-16-9-11-18(12-10-16)25-22-21-19(26-27-22)7-3-13-23-21/h1-3,6-13,15H,4-5,14H2,(H2,25,26,27)
InChIKeyYZYHLXWHHPIMHI-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.68
Rot. Bonds6

About N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 71526655) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID71526655
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESc1ccc2c(c1)cnn2CCCc1ccc(Nc2n[nH]c3cccnc23)cc1
InChIInChI=1S/C22H20N6/c1-2-8-20-17(6-1)15-24-28(20)14-4-5-16-9-11-18(12-10-16)25-22-21-19(26-27-22)7-3-13-23-21/h1-3,6-13,15H,4-5,14H2,(H2,25,26,27)
InChIKeyYZYHLXWHHPIMHI-UHFFFAOYSA-N
XLogP4.68
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 71526655) is N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is c1ccc2c(c1)cnn2CCCc1ccc(Nc2n[nH]c3cccnc23)cc1.
What is the InChIKey of N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is YZYHLXWHHPIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-8-20-17(6-1)15-24-28(20)14-4-5-16-9-11-18(12-10-16)25-22-21-19(26-27-22)7-3-13-23-21/h1-3,6-13,15H,4-5,14H2,(H2,25,26,27).
What are the key properties of N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 368.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-indazol-1-ylpropyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 71526655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).