1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine

C24H26N8O — CID 146641631

IUPAC1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
SMILESc1cncc(COC2CCCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)C2)c1
InChIInChI=1S/C24H26N8O/c1-5-17(13-25-9-1)16-33-18-6-3-11-31(15-18)21-14-27-22-23(28-21)29-30-24(22)32-12-4-7-19-20(32)8-2-10-26-19/h1-2,5,8-10,13-14,18H,3-4,6-7,11-12,15-16H2,(H,28,29,30)
InChIKeyVBTAWZOBCCVQTD-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.41
Rot. Bonds5

About 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine

1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 146641631) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID146641631
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
SMILESc1cncc(COC2CCCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)C2)c1
InChIInChI=1S/C24H26N8O/c1-5-17(13-25-9-1)16-33-18-6-3-11-31(15-18)21-14-27-22-23(28-21)29-30-24(22)32-12-4-7-19-20(32)8-2-10-26-19/h1-2,5,8-10,13-14,18H,3-4,6-7,11-12,15-16H2,(H,28,29,30)
InChIKeyVBTAWZOBCCVQTD-UHFFFAOYSA-N
XLogP3.41
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine (CID 146641631) is 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine is c1cncc(COC2CCCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)C2)c1.
What is the InChIKey of 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is VBTAWZOBCCVQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-5-17(13-25-9-1)16-33-18-6-3-11-31(15-18)21-14-27-22-23(28-21)29-30-24(22)32-12-4-7-19-20(32)8-2-10-26-19/h1-2,5,8-10,13-14,18H,3-4,6-7,11-12,15-16H2,(H,28,29,30).
What are the key properties of 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine?
1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 442.53 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 146641631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).