8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline

C26H29N7O2 — CID 142464281

IUPAC8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc7c(cc56)OCO7)cnn4c3)CC2)CC1
InChIInChI=1S/C26H29N7O2/c1-30-8-10-32(11-9-30)18-3-6-31(7-4-18)19-14-28-26-22(15-29-33(26)16-19)20-2-5-27-23-13-25-24(12-21(20)23)34-17-35-25/h2,5,12-16,18H,3-4,6-11,17H2,1H3
InChIKeySLRUWIZEKCAJQD-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.89
Rot. Bonds3

About 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline

8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 142464281) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline
PubChem CID142464281
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc7c(cc56)OCO7)cnn4c3)CC2)CC1
InChIInChI=1S/C26H29N7O2/c1-30-8-10-32(11-9-30)18-3-6-31(7-4-18)19-14-28-26-22(15-29-33(26)16-19)20-2-5-27-23-13-25-24(12-21(20)23)34-17-35-25/h2,5,12-16,18H,3-4,6-11,17H2,1H3
InChIKeySLRUWIZEKCAJQD-UHFFFAOYSA-N
XLogP2.89
TPSA71.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline (CID 142464281) is 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc7c(cc56)OCO7)cnn4c3)CC2)CC1.
What is the InChIKey of 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is SLRUWIZEKCAJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-30-8-10-32(11-9-30)18-3-6-31(7-4-18)19-14-28-26-22(15-29-33(26)16-19)20-2-5-27-23-13-25-24(12-21(20)23)34-17-35-25/h2,5,12-16,18H,3-4,6-11,17H2,1H3.
What are the key properties of 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline?
8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 471.57 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 142464281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).