4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine

C24H28N8 — CID 142464214

IUPAC4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cccnc56)cnn4c3)CC2)CC1
InChIInChI=1S/C24H28N8/c1-29-11-13-31(14-12-29)18-5-9-30(10-6-18)19-15-27-24-21(16-28-32(24)17-19)20-4-8-25-22-3-2-7-26-23(20)22/h2-4,7-8,15-18H,5-6,9-14H2,1H3
InChIKeyBGUOOQSPEDAHME-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.56
Rot. Bonds3

About 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine

4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine (PubChem CID 142464214) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine
PubChem CID142464214
Molecular FormulaC24H28N8
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC Name4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cccnc56)cnn4c3)CC2)CC1
InChIInChI=1S/C24H28N8/c1-29-11-13-31(14-12-29)18-5-9-30(10-6-18)19-15-27-24-21(16-28-32(24)17-19)20-4-8-25-22-3-2-7-26-23(20)22/h2-4,7-8,15-18H,5-6,9-14H2,1H3
InChIKeyBGUOOQSPEDAHME-UHFFFAOYSA-N
XLogP2.56
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine?
The IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine (CID 142464214) is 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine.
What is the SMILES notation for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine?
The canonical SMILES for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6cccnc56)cnn4c3)CC2)CC1.
What is the InChIKey of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine?
The InChIKey is BGUOOQSPEDAHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c1-29-11-13-31(14-12-29)18-5-9-30(10-6-18)19-15-27-24-21(16-28-32(24)17-19)20-4-8-25-22-3-2-7-26-23(20)22/h2-4,7-8,15-18H,5-6,9-14H2,1H3.
What are the key properties of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine?
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine has a molecular weight of 428.54 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine is sourced from PubChem (CID 142464214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).