1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine

C20H21BrN8 — CID 71253692

IUPAC1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine
SMILESCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC(N)CC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H21BrN8/c1-28-11-12(9-24-28)17-8-14-18(10-23-17)26-27-19(14)16-3-2-15(21)20(25-16)29-6-4-13(22)5-7-29/h2-3,8-11,13H,4-7,22H2,1H3,(H,26,27)
InChIKeyYVACBLRXIPFIHT-UHFFFAOYSA-N
MW453.35 g/mol
LogP3.11
Rot. Bonds3

About 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine

1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine (PubChem CID 71253692) has the molecular formula C20H21BrN8 and a molecular weight of 453.35 g/mol. Its IUPAC name is 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine
PubChem CID71253692
Molecular FormulaC20H21BrN8
Molecular Weight453.35 g/mol
Exact Mass452.11
IUPAC Name1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine
SMILESCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC(N)CC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H21BrN8/c1-28-11-12(9-24-28)17-8-14-18(10-23-17)26-27-19(14)16-3-2-15(21)20(25-16)29-6-4-13(22)5-7-29/h2-3,8-11,13H,4-7,22H2,1H3,(H,26,27)
InChIKeyYVACBLRXIPFIHT-UHFFFAOYSA-N
XLogP3.11
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine (CID 71253692) is 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine is Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC(N)CC5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine?
The InChIKey is YVACBLRXIPFIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN8/c1-28-11-12(9-24-28)17-8-14-18(10-23-17)26-27-19(14)16-3-2-15(21)20(25-16)29-6-4-13(22)5-7-29/h2-3,8-11,13H,4-7,22H2,1H3,(H,26,27).
What are the key properties of 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine?
1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine has a molecular weight of 453.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 71253692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).