5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine

About 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine

5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine (PubChem CID 176923740) has the molecular formula C34H45FN6O3 and a molecular weight of 604.77 g/mol. Its IUPAC name is 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine.

Molecular Properties

Compound Name	5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine
PubChem CID	176923740
Molecular Formula	C34H45FN6O3
Molecular Weight	604.77 g/mol
Exact Mass	604.35
IUPAC Name	5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine
SMILES	CC1CCC1.CNC(C)C.O=Cc1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CNCC4)C2)C1
InChI	InChI=1S/C25H24FN5O3.C5H10.C4H11N/c26-17-1-2-21(16(7-17)12-32)34-23-11-28-15-30-24(23)31-13-25(14-31)8-18(9-25)33-22-4-6-29-20-3-5-27-10-19(20)22;1-5-3-2-4-5;1-4(2)5-3/h1-2,4,6-7,11-12,15,18,27H,3,5,8-10,13-14H2;5H,2-4H2,1H3;4-5H,1-3H3
InChIKey	UUGFJIAJVFUJED-UHFFFAOYSA-N
XLogP	5.73
TPSA	101.50 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.77
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine?

The IUPAC name of 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine (CID 176923740) is 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine.

What is the SMILES notation for 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine?

The canonical SMILES for 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine is CC1CCC1.CNC(C)C.O=Cc1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CNCC4)C2)C1.

What is the InChIKey of 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine?

The InChIKey is UUGFJIAJVFUJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3.C5H10.C4H11N/c26-17-1-2-21(16(7-17)12-32)34-23-11-28-15-30-24(23)31-13-25(14-31)8-18(9-25)33-22-4-6-29-20-3-5-27-10-19(20)22;1-5-3-2-4-5;1-4(2)5-3/h1-2,4,6-7,11-12,15,18,27H,3,5,8-10,13-14H2;5H,2-4H2,1H3;4-5H,1-3H3.

What are the key properties of 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine?

5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine has a molecular weight of 604.77 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde;methylcyclobutane;N-methylpropan-2-amine is sourced from PubChem (CID 176923740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).