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

C22H23N7 — CID 71253612

IUPAC1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
SMILESCc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCCC(N)C1
InChIInChI=1S/C22H23N7/c1-14-6-7-18(26-22(14)29-9-3-5-16(23)13-29)21-17-10-19(15-4-2-8-24-11-15)25-12-20(17)27-28-21/h2,4,6-8,10-12,16H,3,5,9,13,23H2,1H3,(H,27,28)
InChIKeyYWLVRWOOKKXPLZ-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.32
Rot. Bonds3

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

1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (PubChem CID 71253612) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
PubChem CID71253612
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
SMILESCc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCCC(N)C1
InChIInChI=1S/C22H23N7/c1-14-6-7-18(26-22(14)29-9-3-5-16(23)13-29)21-17-10-19(15-4-2-8-24-11-15)25-12-20(17)27-28-21/h2,4,6-8,10-12,16H,3,5,9,13,23H2,1H3,(H,27,28)
InChIKeyYWLVRWOOKKXPLZ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (CID 71253612) is 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCCC(N)C1.
What is the InChIKey of 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is YWLVRWOOKKXPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-14-6-7-18(26-22(14)29-9-3-5-16(23)13-29)21-17-10-19(15-4-2-8-24-11-15)25-12-20(17)27-28-21/h2,4,6-8,10-12,16H,3,5,9,13,23H2,1H3,(H,27,28).
What are the key properties of 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
1-[3-methyl-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 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 71253612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).