4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol

C33H34N6O2 — CID 166162548

IUPAC4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol
SMILESCc1c(-c2cc(O)cc3ccccc23)ccc2c(N3CCn4nccc4C3)nc(OCC34CCCN3CCC4)nc12
InChIInChI=1S/C33H34N6O2/c1-22-26(29-19-25(40)18-23-6-2-3-7-27(23)29)8-9-28-30(22)35-32(41-21-33-11-4-14-38(33)15-5-12-33)36-31(28)37-16-17-39-24(20-37)10-13-34-39/h2-3,6-10,13,18-19,40H,4-5,11-12,14-17,20-21H2,1H3
InChIKeyFMDISPCCEPKANS-UHFFFAOYSA-N
MW546.68 g/mol
LogP5.69
Rot. Bonds5

About 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol

4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol (PubChem CID 166162548) has the molecular formula C33H34N6O2 and a molecular weight of 546.68 g/mol. Its IUPAC name is 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol
PubChem CID166162548
Molecular FormulaC33H34N6O2
Molecular Weight546.68 g/mol
Exact Mass546.27
IUPAC Name4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol
SMILESCc1c(-c2cc(O)cc3ccccc23)ccc2c(N3CCn4nccc4C3)nc(OCC34CCCN3CCC4)nc12
InChIInChI=1S/C33H34N6O2/c1-22-26(29-19-25(40)18-23-6-2-3-7-27(23)29)8-9-28-30(22)35-32(41-21-33-11-4-14-38(33)15-5-12-33)36-31(28)37-16-17-39-24(20-37)10-13-34-39/h2-3,6-10,13,18-19,40H,4-5,11-12,14-17,20-21H2,1H3
InChIKeyFMDISPCCEPKANS-UHFFFAOYSA-N
XLogP5.69
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol (CID 166162548) is 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol is Cc1c(-c2cc(O)cc3ccccc23)ccc2c(N3CCn4nccc4C3)nc(OCC34CCCN3CCC4)nc12.
What is the InChIKey of 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol?
The InChIKey is FMDISPCCEPKANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O2/c1-22-26(29-19-25(40)18-23-6-2-3-7-27(23)29)8-9-28-30(22)35-32(41-21-33-11-4-14-38(33)15-5-12-33)36-31(28)37-16-17-39-24(20-37)10-13-34-39/h2-3,6-10,13,18-19,40H,4-5,11-12,14-17,20-21H2,1H3.
What are the key properties of 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol?
4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol has a molecular weight of 546.68 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methylquinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 166162548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).