3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine

C21H22N8 — CID 71254090

IUPAC3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cncc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)n1
InChIInChI=1S/C21H22N8/c1-14-11-23-12-19(25-14)17-10-15-18(13-24-17)27-28-21(15)16-4-2-5-20(26-16)29-8-3-6-22-7-9-29/h2,4-5,10-13,22H,3,6-9H2,1H3,(H,27,28)
InChIKeyADHFWXANXDIZPQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.59
Rot. Bonds3

About 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine

3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71254090) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID71254090
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cncc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)n1
InChIInChI=1S/C21H22N8/c1-14-11-23-12-19(25-14)17-10-15-18(13-24-17)27-28-21(15)16-4-2-5-20(26-16)29-8-3-6-22-7-9-29/h2,4-5,10-13,22H,3,6-9H2,1H3,(H,27,28)
InChIKeyADHFWXANXDIZPQ-UHFFFAOYSA-N
XLogP2.59
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 71254090) is 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine is Cc1cncc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)n1.
What is the InChIKey of 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is ADHFWXANXDIZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-14-11-23-12-19(25-14)17-10-15-18(13-24-17)27-28-21(15)16-4-2-5-20(26-16)29-8-3-6-22-7-9-29/h2,4-5,10-13,22H,3,6-9H2,1H3,(H,27,28).
What are the key properties of 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 386.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71254090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).