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

C22H23N7 — CID 71253830

IUPAC3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
SMILESCC1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1
InChIInChI=1S/C22H23N7/c1-22(23)8-4-10-29(14-22)20-7-2-6-17(26-20)21-16-11-18(15-5-3-9-24-12-15)25-13-19(16)27-28-21/h2-3,5-7,9,11-13H,4,8,10,14,23H2,1H3,(H,27,28)
InChIKeySTVHGQTYZJFQHJ-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.40
Rot. Bonds3

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

3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (PubChem CID 71253830) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
PubChem CID71253830
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
SMILESCC1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1
InChIInChI=1S/C22H23N7/c1-22(23)8-4-10-29(14-22)20-7-2-6-17(26-20)21-16-11-18(15-5-3-9-24-12-15)25-13-19(16)27-28-21/h2-3,5-7,9,11-13H,4,8,10,14,23H2,1H3,(H,27,28)
InChIKeySTVHGQTYZJFQHJ-UHFFFAOYSA-N
XLogP3.40
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (CID 71253830) is 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is CC1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1.
What is the InChIKey of 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is STVHGQTYZJFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-22(23)8-4-10-29(14-22)20-7-2-6-17(26-20)21-16-11-18(15-5-3-9-24-12-15)25-13-19(16)27-28-21/h2-3,5-7,9,11-13H,4,8,10,14,23H2,1H3,(H,27,28).
What are the key properties of 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 385.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 71253830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).