4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C31H30FN7O2 — CID 166139888

IUPAC4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESOc1cc(-c2ncc3c(N4CCn5cncc5C4)nc(OCC45CCCN4CCC5)nc3c2F)c2ccccc2c1
InChIInChI=1S/C31H30FN7O2/c32-26-27(24-14-22(40)13-20-5-1-2-6-23(20)24)34-16-25-28(26)35-30(41-18-31-7-3-9-39(31)10-4-8-31)36-29(25)37-11-12-38-19-33-15-21(38)17-37/h1-2,5-6,13-16,19,40H,3-4,7-12,17-18H2
InChIKeyROAXMSWDWYDHGU-UHFFFAOYSA-N
MW551.63 g/mol
LogP4.91
Rot. Bonds5

About 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 166139888) has the molecular formula C31H30FN7O2 and a molecular weight of 551.63 g/mol. Its IUPAC name is 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID166139888
Molecular FormulaC31H30FN7O2
Molecular Weight551.63 g/mol
Exact Mass551.24
IUPAC Name4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESOc1cc(-c2ncc3c(N4CCn5cncc5C4)nc(OCC45CCCN4CCC5)nc3c2F)c2ccccc2c1
InChIInChI=1S/C31H30FN7O2/c32-26-27(24-14-22(40)13-20-5-1-2-6-23(20)24)34-16-25-28(26)35-30(41-18-31-7-3-9-39(31)10-4-8-31)36-29(25)37-11-12-38-19-33-15-21(38)17-37/h1-2,5-6,13-16,19,40H,3-4,7-12,17-18H2
InChIKeyROAXMSWDWYDHGU-UHFFFAOYSA-N
XLogP4.91
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.63
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 166139888) is 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is Oc1cc(-c2ncc3c(N4CCn5cncc5C4)nc(OCC45CCCN4CCC5)nc3c2F)c2ccccc2c1.
What is the InChIKey of 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is ROAXMSWDWYDHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN7O2/c32-26-27(24-14-22(40)13-20-5-1-2-6-23(20)24)34-16-25-28(26)35-30(41-18-31-7-3-9-39(31)10-4-8-31)36-29(25)37-11-12-38-19-33-15-21(38)17-37/h1-2,5-6,13-16,19,40H,3-4,7-12,17-18H2.
What are the key properties of 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 551.63 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 166139888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).