4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C32H35FN6O2 — CID 166634946

IUPAC4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESOc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCCN4CCC5)nc3c2F)c2ccccc2c1
InChIInChI=1S/C32H35FN6O2/c33-27-28(25-15-23(40)14-20-6-1-2-7-24(20)25)34-16-26-29(27)36-31(37-30(26)38-17-21-8-9-22(18-38)35-21)41-19-32-10-3-4-12-39(32)13-5-11-32/h1-2,6-7,14-16,21-22,35,40H,3-5,8-13,17-19H2
InChIKeyZXLXXBNGGWBUJO-UHFFFAOYSA-N
MW554.67 g/mol
LogP5.03
Rot. Bonds5

About 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 166634946) has the molecular formula C32H35FN6O2 and a molecular weight of 554.67 g/mol. Its IUPAC name is 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID166634946
Molecular FormulaC32H35FN6O2
Molecular Weight554.67 g/mol
Exact Mass554.28
IUPAC Name4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESOc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCCN4CCC5)nc3c2F)c2ccccc2c1
InChIInChI=1S/C32H35FN6O2/c33-27-28(25-15-23(40)14-20-6-1-2-7-24(20)25)34-16-26-29(27)36-31(37-30(26)38-17-21-8-9-22(18-38)35-21)41-19-32-10-3-4-12-39(32)13-5-11-32/h1-2,6-7,14-16,21-22,35,40H,3-5,8-13,17-19H2
InChIKeyZXLXXBNGGWBUJO-UHFFFAOYSA-N
XLogP5.03
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-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-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 166634946) is 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCCN4CCC5)nc3c2F)c2ccccc2c1.
What is the InChIKey of 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is ZXLXXBNGGWBUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O2/c33-27-28(25-15-23(40)14-20-6-1-2-7-24(20)25)34-16-26-29(27)36-31(37-30(26)38-17-21-8-9-22(18-38)35-21)41-19-32-10-3-4-12-39(32)13-5-11-32/h1-2,6-7,14-16,21-22,35,40H,3-5,8-13,17-19H2.
What are the key properties of 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 554.67 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 166634946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).