4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine

C25H34N8O — CID 142464223

IUPAC4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc(N6CCOCC6)c5)cnn4c3)CC2)CC1
InChIInChI=1S/C25H34N8O/c1-29-8-10-31(11-9-29)21-3-6-30(7-4-21)22-17-27-25-23(18-28-33(25)19-22)20-2-5-26-24(16-20)32-12-14-34-15-13-32/h2,5,16-19,21H,3-4,6-15H2,1H3
InChIKeyMBFRDKVPZIUKLK-UHFFFAOYSA-N
MW462.60 g/mol
LogP1.84
Rot. Bonds4

About 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine

4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine (PubChem CID 142464223) has the molecular formula C25H34N8O and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine
PubChem CID142464223
Molecular FormulaC25H34N8O
Molecular Weight462.60 g/mol
Exact Mass462.29
IUPAC Name4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc(N6CCOCC6)c5)cnn4c3)CC2)CC1
InChIInChI=1S/C25H34N8O/c1-29-8-10-31(11-9-29)21-3-6-30(7-4-21)22-17-27-25-23(18-28-33(25)19-22)20-2-5-26-24(16-20)32-12-14-34-15-13-32/h2,5,16-19,21H,3-4,6-15H2,1H3
InChIKeyMBFRDKVPZIUKLK-UHFFFAOYSA-N
XLogP1.84
TPSA65.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine (CID 142464223) is 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine is CN1CCN(C2CCN(c3cnc4c(-c5ccnc(N6CCOCC6)c5)cnn4c3)CC2)CC1.
What is the InChIKey of 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is MBFRDKVPZIUKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O/c1-29-8-10-31(11-9-29)21-3-6-30(7-4-21)22-17-27-25-23(18-28-33(25)19-22)20-2-5-26-24(16-20)32-12-14-34-15-13-32/h2,5,16-19,21H,3-4,6-15H2,1H3.
What are the key properties of 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine?
4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 462.60 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 142464223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).