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

C20H21BrN8 — CID 71253794

IUPAC1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
SMILESCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCCC(N)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H21BrN8/c1-28-10-12(8-24-28)17-7-14-18(9-23-17)26-27-19(14)16-5-4-15(21)20(25-16)29-6-2-3-13(22)11-29/h4-5,7-10,13H,2-3,6,11,22H2,1H3,(H,26,27)
InChIKeyGFRXZJASIHLAME-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-3-amine

1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine (PubChem CID 71253794) 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-3-amine.

Molecular Properties

Compound Name1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
PubChem CID71253794
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-3-amine
SMILESCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCCC(N)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H21BrN8/c1-28-10-12(8-24-28)17-7-14-18(9-23-17)26-27-19(14)16-5-4-15(21)20(25-16)29-6-2-3-13(22)11-29/h4-5,7-10,13H,2-3,6,11,22H2,1H3,(H,26,27)
InChIKeyGFRXZJASIHLAME-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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Related Compounds

(3S)-1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253792
1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253384
3-[5-bromo-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253670
(3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine
CID 71253698
(4S)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71254143
(3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 71253973
3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 123803417
1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 71253612
1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-ol
CID 71253412
3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 123586407
2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 136944307
3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
CID 71253891

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-3-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-3-amine (CID 71253794) is 1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-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-3-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-3-amine is Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCCC(N)C5)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-3-amine?
The InChIKey is GFRXZJASIHLAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN8/c1-28-10-12(8-24-28)17-7-14-18(9-23-17)26-27-19(14)16-5-4-15(21)20(25-16)29-6-2-3-13(22)11-29/h4-5,7-10,13H,2-3,6,11,22H2,1H3,(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-3-amine?
1-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-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-3-amine is sourced from PubChem (CID 71253794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).