N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C15H23N5 — CID 79708149

IUPACN-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NCC3CCNCC3)cnc21
InChIInChI=1S/C15H23N5/c1-11(2)20-15-13(9-19-20)7-14(10-18-15)17-8-12-3-5-16-6-4-12/h7,9-12,16-17H,3-6,8H2,1-2H3
InChIKeyFGLQFATWPINKTB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.42
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 79708149) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID79708149
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NCC3CCNCC3)cnc21
InChIInChI=1S/C15H23N5/c1-11(2)20-15-13(9-19-20)7-14(10-18-15)17-8-12-3-5-16-6-4-12/h7,9-12,16-17H,3-6,8H2,1-2H3
InChIKeyFGLQFATWPINKTB-UHFFFAOYSA-N
XLogP2.42
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 79708149) is N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is CC(C)n1ncc2cc(NCC3CCNCC3)cnc21.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is FGLQFATWPINKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11(2)20-15-13(9-19-20)7-14(10-18-15)17-8-12-3-5-16-6-4-12/h7,9-12,16-17H,3-6,8H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 273.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 79708149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).